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

Systemtic Name: N-[4-(methylcarbamoylamino)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[4-(methylcarbamoylamino)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[4-(methylcarbamoylamino)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[4-(methylcarbamoylamino)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[4-(methylcarbamoylamino)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H18N6O2S2 MolecularWeight: 402.49382

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CNC(=O)NC1=CC=C(C=C1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H18N6O2S2/c1-18-16(25)20-12-6-4-11(5-7-12)19-14(24)8-9-23-15(21-22-17(23)26)13-3-2-10-27-13/h2-7,10H,8-9H2,1H3,(H,19,24)(H,22,26)(H2,18,20,25)