1-[(4-chloranyl-2-methyl-pyrazol-3-yl)methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(4-chloranyl-2-methyl-pyrazol-3-yl)methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(4-chloro-2-methyl-pyrazol-3-yl)methyl]thiourea CAS Name: 1-[(4-chloro-2-methyl-3-pyrazolyl)methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(4-chloro-2-methylpyrazol-3-yl)methyl]thiourea Traditional Name: 1-benzyl-3-[(4-chloro-2-methyl-pyrazol-3-yl)methyl]thiourea Formula: C13H15ClN4S MolecularWeight: 294.803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN4S/c1-18-12(11(14)8-17-18)9-16-13(19)15-7-10-5-3-2-4-6-10/h2-6,8H,7,9H2,1H3,(H2,15,16,19)