1-(4-bromanyl-2-chloranyl-phenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-(4-bromo-2-chloro-phenyl)-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(4-bromo-2-chlorophenyl)-3-[1-(1-naphthalenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(4-bromo-2-chlorophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Traditional Name: 1-(4-bromo-2-chloro-phenyl)-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea Formula: C21H16BrClN4S MolecularWeight: 471.80054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C=N3)NC(=S)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C=N3)NC(=S)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C21H16BrClN4S/c22-16-8-9-20(19(23)10-16)26-21(28)25-17-11-24-27(13-17)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13H,12H2,(H2,25,26,28)