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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C11H12N6O3S MolecularWeight: 308.31638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=CN2N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=CN2N

InChI

InChI=1S/C11H12N6O3S/c1-7(21-11-15-13-6-16(11)12)10(18)14-8-2-4-9(5-3-8)17(19)20/h2-7H,12H2,1H3,(H,14,18)