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

Systemtic Name: 5-azanyl-3-(dimethylamino)-N-(phenylmethyl)-1,2,4-triazole-1-carbothioamide Openeye Name: 5-amino-N-benzyl-3-(dimethylamino)-1,2,4-triazole-1-carbothioamide CAS Name: 5-amino-3-(dimethylamino)-N-(phenylmethyl)-1,2,4-triazole-1-carbothioamide IUPAC Name: 5-amino-N-benzyl-3-(dimethylamino)-1,2,4-triazole-1-carbothioamide Traditional Name: 5-amino-N-benzyl-3-(dimethylamino)-1,2,4-triazole-1-carbothioamide Formula: C12H16N6S MolecularWeight: 276.36064

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NN(C(=N1)N)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CN(C)C1=NN(C(=N1)N)C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C12H16N6S/c1-17(2)11-15-10(13)18(16-11)12(19)14-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,14,19)(H2,13,15,16)