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

Systemtic Name: 3-(3,4-dimethylphenyl)-1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-thiourea Openeye Name: 3-(3,4-dimethylphenyl)-1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-thiourea CAS Name: 3-(3,4-dimethylphenyl)-1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-methylthiourea IUPAC Name: 3-(3,4-dimethylphenyl)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylthiourea Traditional Name: 3-(3,4-dimethylphenyl)-1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-1-methyl-thiourea Formula: C22H26N4S MolecularWeight: 378.53364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H26N4S/c1-15-11-12-19(13-16(15)2)23-22(27)25(5)14-21-17(3)24-26(18(21)4)20-9-7-6-8-10-20/h6-13H,14H2,1-5H3,(H,23,27)