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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C19H20N6O5S MolecularWeight: 444.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H20N6O5S/c1-11(18(26)21-15-10-13(25(27)28)6-9-16(15)30-3)31-19-23-22-17(24(19)20)12-4-7-14(29-2)8-5-12/h4-11H,20H2,1-3H3,(H,21,26)