1-(3-chloranyl-4-methyl-phenyl)-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]thiourea

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(3-chloro-4-methyl-phenyl)thiourea CAS Name: 1-(3-chloro-4-methylphenyl)-3-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(3-chloro-4-methylphenyl)thiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-(3-chloro-4-methyl-phenyl)thiourea Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=C(N(N=C2C)CC3=CC=CC=C3)C)Cl

InChI

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