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

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Formula: C17H13BrCl2N4S MolecularWeight: 456.18692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrCl2N4S/c18-12-4-5-16(15(20)7-12)23-17(25)22-14-3-1-2-11(6-14)9-24-10-13(19)8-21-24/h1-8,10H,9H2,(H2,22,23,25)