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

Systemtic Name: 2-bromanyl-N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide CAS Name: 2-bromo-N-[[5-[[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-bromo-N-[[5-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-bromo-benzamide Formula: C24H23BrN6O2S2 MolecularWeight: 571.51242

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C24H23BrN6O2S2/c1-2-11-31-20(13-27-22(33)16-8-3-5-9-18(16)25)29-30-24(31)34-14-21(32)28-23-17(12-26)15-7-4-6-10-19(15)35-23/h2-3,5,8-9H,1,4,6-7,10-11,13-14H2,(H,27,33)(H,28,32)