1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-ethoxyphenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-3-p-phenetyl-thiourea Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=NN(C(=C2)C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=NN(C(=C2)C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-3-26-18-10-8-17(9-11-18)22-20(27)23-19-12-14(2)25(24-19)13-15-4-6-16(21)7-5-15/h4-12H,3,13H2,1-2H3,(H2,22,23,24,27)