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

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N6O4S/c1-11-4-6-13(7-5-11)18-22-23-19(24(18)20)30-10-17(26)21-14-9-16(29-3)15(25(27)28)8-12(14)2/h4-9H,10,20H2,1-3H3,(H,21,26)