1-[(4-chlorophenyl)methyl]-3-(1-methylpyrazol-3-yl)thiourea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-(1-methylpyrazol-3-yl)thiourea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-(1-methylpyrazol-3-yl)thiourea CAS Name: 1-[(4-chlorophenyl)methyl]-3-(1-methyl-3-pyrazolyl)thiourea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-(1-methylpyrazol-3-yl)thiourea Traditional Name: 1-(4-chlorobenzyl)-3-(1-methylpyrazol-3-yl)thiourea Formula: C12H13ClN4S MolecularWeight: 280.77642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CN1C=CC(=N1)NC(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H13ClN4S/c1-17-7-6-11(16-17)15-12(18)14-8-9-2-4-10(13)5-3-9/h2-7H,8H2,1H3,(H2,14,15,16,18)