1-(5-chloranyl-2-methyl-phenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea CAS Name: 1-(5-chloro-2-methylphenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-(1H-pyrazol-5-ylmethyl)thiourea Formula: C12H13ClN4S MolecularWeight: 280.77642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC=NN2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NCC2=CC=NN2

InChI

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