1-(3,4-dimethylphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-(3,4-dimethylphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-(3,4-dimethylphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea CAS Name: 1-(3,4-dimethylphenyl)-3-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-(3,4-dimethylphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-(3,4-dimethylphenyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Formula: C16H22N4S MolecularWeight: 302.43768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=C(N(N=C2C)C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=C(N(N=C2C)C)C)C

InChI

InChI=1S/C16H22N4S/c1-10-6-7-14(8-11(10)2)18-16(21)17-9-15-12(3)19-20(5)13(15)4/h6-8H,9H2,1-5H3,(H2,17,18,21)