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

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(4-ethoxyphenyl)thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(4-ethoxyphenyl)thiourea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-(4-ethoxyphenyl)thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(4-ethoxyphenyl)thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-p-phenetyl-thiourea Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H24N4OS/c1-4-26-19-12-10-17(11-13-19)23-21(27)22-14-20-15(2)24-25(16(20)3)18-8-6-5-7-9-18/h5-13H,4,14H2,1-3H3,(H2,22,23,27)