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

Systemtic Name: 5-azanyl-N-methyl-3-(phenylmethyl)-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-3-benzyl-N-methyl-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-N-methyl-3-(phenylmethyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-3-benzyl-N-methyl-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-3-benzyl-N-methyl-1,2,4-triazole-1-carbothioamide Formula: C11H13N5S MolecularWeight: 247.31942

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1C(=NC(=N1)CC2=CC=CC=C2)N

Isomeric SMILES

CNC(=S)N1C(=NC(=N1)CC2=CC=CC=C2)N

InChI

InChI=1S/C11H13N5S/c1-13-11(17)16-10(12)14-9(15-16)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,17)(H2,12,14,15)