5-azanyl-3-(4-chloranyl-2-methoxy-phenyl)-N-methyl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-(4-chloranyl-2-methoxy-phenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-(4-chloro-2-methoxy-phenyl)-N-methyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(4-chloro-2-methoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-(4-chloro-2-methoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-(4-chloro-2-methoxy-phenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Formula: C11H12ClN5OS MolecularWeight: 297.76388

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(=NC(=N1)C2=C(C=C(C=C2)Cl)OC)N

Isomeric SMILES

CNC(=S)N1C(=NC(=N1)C2=C(C=C(C=C2)Cl)OC)N

InChI

InChI=1S/C11H12ClN5OS/c1-14-11(19)17-10(13)15-9(16-17)7-4-3-6(12)5-8(7)18-2/h3-5H,1-2H3,(H,14,19)(H2,13,15,16)