1-(3-chloranyl-4-methyl-phenyl)-3-[3-(4-chloranylpyrazol-1-yl)propyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[3-(4-chloranylpyrazol-1-yl)propyl]thiourea Openeye Name: 1-(3-chloro-4-methyl-phenyl)-3-[3-(4-chloropyrazol-1-yl)propyl]thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[3-(4-chloro-1-pyrazolyl)propyl]thiourea IUPAC Name: 1-(3-chloro-4-methylphenyl)-3-[3-(4-chloropyrazol-1-yl)propyl]thiourea Traditional Name: 1-(3-chloro-4-methyl-phenyl)-3-[3-(4-chloropyrazol-1-yl)propyl]thiourea Formula: C14H16Cl2N4S MolecularWeight: 343.27464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCCCN2C=C(C=N2)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCCCN2C=C(C=N2)Cl)Cl

InChI

InChI=1S/C14H16Cl2N4S/c1-10-3-4-12(7-13(10)16)19-14(21)17-5-2-6-20-9-11(15)8-18-20/h3-4,7-9H,2,5-6H2,1H3,(H2,17,19,21)