4-chloranyl-N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 4-chloranyl-N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 4-chloro-N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 4-chloro-N-[[5-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 4-chloro-N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 4-chloro-N-[[5-[[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Formula: C27H23ClN6O2S2 MolecularWeight: 563.09352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CNC(=O)C5=CC=C(C=C5)Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CNC(=O)C5=CC=C(C=C5)Cl)C#N

InChI

InChI=1S/C27H23ClN6O2S2/c28-18-12-10-17(11-13-18)25(36)30-15-23-32-33-27(34(23)19-6-2-1-3-7-19)37-16-24(35)31-26-21(14-29)20-8-4-5-9-22(20)38-26/h1-3,6-7,10-13H,4-5,8-9,15-16H2,(H,30,36)(H,31,35)