1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-methyl-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-methyl-3-prop-2-enyl-thiourea Openeye Name: 3-allyl-1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-1-methyl-thiourea CAS Name: 1-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-1-methyl-3-prop-2-enylthiourea IUPAC Name: 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methyl-3-prop-2-enylthiourea Traditional Name: 3-allyl-1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4S/c1-3-13-23-21(27)25(2)14-17-15-26(19-7-5-4-6-8-19)24-20(17)16-9-11-18(22)12-10-16/h3-12,15H,1,13-14H2,2H3,(H,23,27)