4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenylpropyl)benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenylpropyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenylpropyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(2-phenylpropyl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2-phenylpropyl)benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(2-phenylpropyl)benzamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC(CNC(=O)C1=CC(=C(C=C1)SC2=NN=CN2C)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H19N5O3S/c1-13(14-6-4-3-5-7-14)11-20-18(25)15-8-9-17(16(10-15)24(26)27)28-19-22-21-12-23(19)2/h3-10,12-13H,11H2,1-2H3,(H,20,25)