3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=CN2C3CC3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=NN=CN2C3CC3

InChI

InChI=1S/C15H17N5O3S/c1-10-8-12(20(22)23)4-5-13(10)17-14(21)6-7-24-15-18-16-9-19(15)11-2-3-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H,17,21)