2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-nitrophenyl)propanamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2N)C3CC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C14H16N6O3S/c1-8(24-14-18-17-12(19(14)15)9-2-3-9)13(21)16-10-4-6-11(7-5-10)20(22)23/h4-9H,2-3,15H2,1H3,(H,16,21)