N-(4-methyl-3-nitro-phenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[[5-(m-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[[5-(3-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[[5-(m-tolyl)-1H-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=NNC(=N2)C3=CC(=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NNC(=N2)C3=CC(=CC=C3)C)[N+](=O)[O-]

InChI

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