1-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]thiourea CAS Name: 1-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]thiourea Traditional Name: 1-benzyl-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]thiourea Formula: C12H16N6S MolecularWeight: 276.36064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NNC(=N1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CN(C)C1=NNC(=N1)NC(=S)NCC2=CC=CC=C2

InChI

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