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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1-(4-methylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-methyl-1-(p-tolyl)triazole-4-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1-(4-methylphenyl)-4-triazolecarboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-methyl-1-(p-tolyl)triazole-4-carboxamide Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)C

InChI

InChI=1S/C20H19N5OS/c1-12-7-9-14(10-8-12)25-13(2)18(23-24-25)19(26)22-20-16(11-21)15-5-3-4-6-17(15)27-20/h7-10H,3-6H2,1-2H3,(H,22,26)