N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(4-morpholinylmethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[[5-(morpholinomethyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H26N6O2S2 MolecularWeight: 494.63224

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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)CN5CCOCC5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CN5CCOCC5)C#N

InChI

InChI=1S/C24H26N6O2S2/c25-14-19-18-8-4-5-9-20(18)34-23(19)26-22(31)16-33-24-28-27-21(15-29-10-12-32-13-11-29)30(24)17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-13,15-16H2,(H,26,31)