N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-1-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-1-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-cyclopropyl-1-phenyl-triazole-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-1-phenyl-4-triazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-1-phenyltriazole-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-cyclopropyl-1-phenyl-triazole-4-carboxamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)C5CC5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)C5CC5)C#N

InChI

InChI=1S/C21H19N5OS/c22-12-16-15-8-4-5-9-17(15)28-21(16)23-20(27)18-19(13-10-11-13)26(25-24-18)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-11H2,(H,23,27)