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

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-methyl-N-(3-nitrobenzyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H17N5O3S2/c1-20(11-12-4-2-5-13(10-12)22(24)25)15(23)7-8-21-16(18-19-17(21)26)14-6-3-9-27-14/h2-6,9-10H,7-8,11H2,1H3,(H,19,26)