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

Systemtic Name: 5-azanyl-N-(5-chloranyl-2-methyl-phenyl)-1-[(4-methylsulfanylphenyl)methyl]-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-N-(5-chloro-2-methyl-phenyl)-1-[(4-methylsulfanylphenyl)methyl]triazole-4-carboxamide CAS Name: 5-amino-N-(5-chloro-2-methylphenyl)-1-[[4-(methylthio)phenyl]methyl]-4-triazolecarboxamide IUPAC Name: 5-amino-N-(5-chloro-2-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]triazole-4-carboxamide Traditional Name: 5-amino-N-(5-chloro-2-methyl-phenyl)-1-[4-(methylthio)benzyl]triazole-4-carboxamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)SC)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(N(N=N2)CC3=CC=C(C=C3)SC)N

InChI

InChI=1S/C18H18ClN5OS/c1-11-3-6-13(19)9-15(11)21-18(25)16-17(20)24(23-22-16)10-12-4-7-14(26-2)8-5-12/h3-9H,10,20H2,1-2H3,(H,21,25)