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

Systemtic Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-ethyl-1-methyl-thiourea Openeye Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-ethyl-1-methyl-thiourea CAS Name: 1-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-ethyl-1-methylthiourea IUPAC Name: 1-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-ethyl-1-methylthiourea Traditional Name: 1-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-ethyl-1-methyl-thiourea Formula: C20H21ClN4S MolecularWeight: 384.92554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4S/c1-3-22-20(26)24(2)13-16-14-25(18-7-5-4-6-8-18)23-19(16)15-9-11-17(21)12-10-15/h4-12,14H,3,13H2,1-2H3,(H,22,26)