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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S/c1-12-3-5-13(6-4-12)18-22-23-19(24(18)20)30-10-9-17(26)21-15-8-7-14(29-2)11-16(15)25(27)28/h3-8,11H,9-10,20H2,1-2H3,(H,21,26)