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

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

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N6O5S/c1-29-14-6-3-12(4-7-14)18-22-23-19(24(18)20)31-10-9-17(26)21-15-11-13(25(27)28)5-8-16(15)30-2/h3-8,11H,9-10,20H2,1-2H3,(H,21,26)