5-azanyl-3-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide

Systemtic Name: 5-azanyl-3-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-(4-methoxyphenyl)-N-methyl-1,2,4-triazole-1-carbothioamide Formula: C11H13N5OS MolecularWeight: 263.31882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N5OS/c1-13-11(18)16-10(12)14-9(15-16)7-3-5-8(17-2)6-4-7/h3-6H,1-2H3,(H,13,18)(H2,12,14,15)