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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=CN2C3=CC=CC=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NN=CN2C3=CC=CC=C3C)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-12-6-4-5-7-16(12)23-11-20-22-19(23)28-14(3)18(25)21-15-9-8-13(2)17(10-15)24(26)27/h4-11,14H,1-3H3,(H,21,25)