1-(1-ethylpyrazol-3-yl)-3-(phenylmethyl)thiourea

Systemtic Name: 1-(1-ethylpyrazol-3-yl)-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-(1-ethylpyrazol-3-yl)thiourea CAS Name: 1-(1-ethyl-3-pyrazolyl)-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-(1-ethylpyrazol-3-yl)thiourea Traditional Name: 1-benzyl-3-(1-ethylpyrazol-3-yl)thiourea Formula: C13H16N4S MolecularWeight: 260.35794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCN1C=CC(=N1)NC(=S)NCC2=CC=CC=C2

InChI

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