N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(5-phenyl-1H-1,2,4-triazol-3-yl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)NC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H16N4OS/c22-16(13-10-23-14-9-5-4-8-12(13)14)19-17-18-15(20-21-17)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H2,18,19,20,21,22)