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

Systemtic Name: 1-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]-3-(3-ethanoylphenyl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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