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

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)propanamide IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-nitrophenyl)propanamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(3-nitrophenyl)propionamide Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3S/c1-8(21-12-15-13-7-16(12)2)11(18)14-9-4-3-5-10(6-9)17(19)20/h3-8H,1-2H3,(H,14,18)