5-azanyl-N-(2-methoxyphenyl)-1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(2-methoxyphenyl)-1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(2-methoxyphenyl)-1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]triazole-4-carboxamide CAS Name: 5-amino-N-(2-methoxyphenyl)-1-[2-[3-(methylthio)anilino]-2-oxoethyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(2-methoxyphenyl)-1-[2-(3-methylsulfanylanilino)-2-oxoethyl]triazole-4-carboxamide Traditional Name: 5-amino-1-[2-keto-2-[3-(methylthio)anilino]ethyl]-N-(2-methoxyphenyl)triazole-4-carboxamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=CC=C3)SC)N

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=CC=C3)SC)N

InChI

InChI=1S/C19H20N6O3S/c1-28-15-9-4-3-8-14(15)22-19(27)17-18(20)25(24-23-17)11-16(26)21-12-6-5-7-13(10-12)29-2/h3-10H,11,20H2,1-2H3,(H,21,26)(H,22,27)