N-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[4-(2-amino-2-oxo-ethyl)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[4-(2-amino-2-oxoethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[4-(2-amino-2-oxoethyl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[4-(2-amino-2-keto-ethyl)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H17N5O2S2 MolecularWeight: 387.47918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)CC(=O)N

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)CC(=O)N

InChI

InChI=1S/C17H17N5O2S2/c18-14(23)10-11-3-5-12(6-4-11)19-15(24)7-8-22-16(20-21-17(22)25)13-2-1-9-26-13/h1-6,9H,7-8,10H2,(H2,18,23)(H,19,24)(H,21,25)