1-(5-chloranyl-2-methyl-phenyl)-3-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]thiourea

Systemtic Name: 1-(5-chloranyl-2-methyl-phenyl)-3-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]thiourea Openeye Name: 1-(5-chloro-2-methyl-phenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea CAS Name: 1-(5-chloro-2-methylphenyl)-3-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-(5-chloro-2-methylphenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-(5-chloro-2-methyl-phenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Formula: C18H16Cl2N4S MolecularWeight: 391.31744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)NC2=CC=CC(=C2)CN3C=C(C=N3)Cl

InChI

InChI=1S/C18H16Cl2N4S/c1-12-5-6-14(19)8-17(12)23-18(25)22-16-4-2-3-13(7-16)10-24-11-15(20)9-21-24/h2-9,11H,10H2,1H3,(H2,22,23,25)