3-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)carbonyl-azepan-2-one

Systemtic Name: 3-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorophenyl)carbonyl-azepan-2-one Openeye Name: 3-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorobenzoyl)azepan-2-one CAS Name: 3-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[(4-chlorophenyl)-oxomethyl]-2-azepanone IUPAC Name: 3-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-chlorobenzoyl)azepan-2-one Traditional Name: 3-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-(4-chlorobenzoyl)azepan-2-one Formula: C19H18ClN5O2S2 MolecularWeight: 447.96152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=NN=C(N2N)C3=CC=CS3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)C(C1)SC2=NN=C(N2N)C3=CC=CS3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN5O2S2/c20-13-8-6-12(7-9-13)17(26)24-10-2-1-4-15(18(24)27)29-19-23-22-16(25(19)21)14-5-3-11-28-14/h3,5-9,11,15H,1-2,4,10,21H2