5-azanyl-N-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-N-(3-chloranyl-4-methoxy-phenyl)-1-(3-methylsulfanylphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(3-chloro-4-methoxy-phenyl)-1-(3-methylsulfanylphenyl)triazole-4-carboxamide CAS Name: 5-amino-N-(3-chloro-4-methoxyphenyl)-1-[3-(methylthio)phenyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(3-chloro-4-methoxyphenyl)-1-(3-methylsulfanylphenyl)triazole-4-carboxamide Traditional Name: 5-amino-N-(3-chloro-4-methoxy-phenyl)-1-[3-(methylthio)phenyl]triazole-4-carboxamide Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)SC)N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=C(N(N=N2)C3=CC(=CC=C3)SC)N)Cl

InChI

InChI=1S/C17H16ClN5O2S/c1-25-14-7-6-10(8-13(14)18)20-17(24)15-16(19)23(22-21-15)11-4-3-5-12(9-11)26-2/h3-9H,19H2,1-2H3,(H,20,24)