3-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: 3-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 3-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(benzylcarbamoyl)propanamide CAS Name: 3-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: 3-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(benzylcarbamoyl)propanamide Traditional Name: 3-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(benzylcarbamoyl)propionamide Formula: C17H18N6O2S2 MolecularWeight: 402.49382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C17H18N6O2S2/c18-23-15(13-7-4-9-26-13)21-22-17(23)27-10-8-14(24)20-16(25)19-11-12-5-2-1-3-6-12/h1-7,9H,8,10-11,18H2,(H2,19,20,24,25)