N-phenyl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-phenyl-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]amino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-phenyl-2-[[2-(1H-1,2,4-triazol-5-ylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H19N5O2S2 MolecularWeight: 413.51646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NN3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NN3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C19H19N5O2S2/c25-15(10-27-19-20-11-21-24-19)23-18-16(13-8-4-5-9-14(13)28-18)17(26)22-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,22,26)(H,23,25)(H,20,21,24)