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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[(4-nitroanilino)-oxomethyl]propanamide IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-nitrophenyl)carbamoyl]propanamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-[(4-nitrophenyl)carbamoyl]propionamide Formula: C13H14N6O4S MolecularWeight: 350.35306

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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=CN2C

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=CN2C

InChI

InChI=1S/C13H14N6O4S/c1-8(24-13-17-14-7-18(13)2)11(20)16-12(21)15-9-3-5-10(6-4-9)19(22)23/h3-8H,1-2H3,(H2,15,16,20,21)