1-(4-butan-2-ylphenyl)-3-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[3-[(4-chloranylpyrazol-1-yl)methyl]phenyl]thiourea Openeye Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[3-[(4-chloro-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4S/c1-3-15(2)17-7-9-19(10-8-17)24-21(27)25-20-6-4-5-16(11-20)13-26-14-18(22)12-23-26/h4-12,14-15H,3,13H2,1-2H3,(H2,24,25,27)