1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-(1-benzyl-4-chloro-pyrazol-3-yl)thiourea CAS Name: 1-(4-acetylphenyl)-3-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-(1-benzyl-4-chloropyrazol-3-yl)thiourea Traditional Name: 1-(4-acetylphenyl)-3-(1-benzyl-4-chloro-pyrazol-3-yl)thiourea Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H17ClN4OS/c1-13(25)15-7-9-16(10-8-15)21-19(26)22-18-17(20)12-24(23-18)11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,21,22,23,26)