1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea CAS Name: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea Traditional Name: 1-benzyl-3-(3,5-dimethyl-1H-pyrazol-4-yl)thiourea Formula: C13H16N4S MolecularWeight: 260.35794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C13H16N4S/c1-9-12(10(2)17-16-9)15-13(18)14-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,16,17)(H2,14,15,18)