N-[(4-nitrophenyl)carbamoyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-nitrophenyl)carbamoyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-[(4-nitrophenyl)carbamoyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-[(4-nitroanilino)-oxomethyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-[(4-nitrophenyl)carbamoyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-[(4-nitrophenyl)carbamoyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C18H16N6O4S MolecularWeight: 412.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H16N6O4S/c1-12(29-18-19-11-23(22-18)14-5-3-2-4-6-14)16(25)21-17(26)20-13-7-9-15(10-8-13)24(27)28/h2-12H,1H3,(H2,20,21,25,26)