1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-cyclopropyl-1-methyl-thiourea

Systemtic Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-cyclopropyl-1-methyl-thiourea Openeye Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-cyclopropyl-1-methyl-thiourea CAS Name: 1-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-cyclopropyl-1-methylthiourea IUPAC Name: 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-cyclopropyl-1-methylthiourea Traditional Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-cyclopropyl-1-methyl-thiourea Formula: C21H21ClN4S MolecularWeight: 396.93624

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=S)NC4CC4

Isomeric SMILES

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=S)NC4CC4

InChI

InChI=1S/C21H21ClN4S/c1-25(21(27)23-18-11-12-18)13-16-14-26(19-5-3-2-4-6-19)24-20(16)15-7-9-17(22)10-8-15/h2-10,14,18H,11-13H2,1H3,(H,23,27)