1-(4-butylphenyl)-3-[[3-(5-chloranylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]methyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[3-(5-chloranylthiophen-2-yl)-1-phenyl-pyrazol-4-yl]methyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[3-(5-chloro-2-thienyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[[3-(5-chloro-2-thiophenyl)-1-phenyl-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[3-(5-chlorothiophen-2-yl)-1-phenylpyrazol-4-yl]methyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[3-(5-chloro-2-thienyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea Formula: C25H25ClN4S2 MolecularWeight: 481.0758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CN(N=C2C3=CC=C(S3)Cl)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCC2=CN(N=C2C3=CC=C(S3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H25ClN4S2/c1-2-3-7-18-10-12-20(13-11-18)28-25(31)27-16-19-17-30(21-8-5-4-6-9-21)29-24(19)22-14-15-23(26)32-22/h4-6,8-15,17H,2-3,7,16H2,1H3,(H2,27,28,31)