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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

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