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

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N5O4S/c1-12-5-4-6-14(9-12)23-13(2)21-22-19(23)29-11-18(25)20-16-8-7-15(28-3)10-17(16)24(26)27/h4-10H,11H2,1-3H3,(H,20,25)