1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-3-(3-imidazol-1-ylpropyl)thiourea Formula: C20H26N6S MolecularWeight: 382.52564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NCCCN3C=CN=C3)C

Isomeric SMILES

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NCCCN3C=CN=C3)C

InChI

InChI=1S/C20H26N6S/c1-15-7-4-5-8-18(15)13-26-17(3)19(16(2)24-26)23-20(27)22-9-6-11-25-12-10-21-14-25/h4-5,7-8,10,12,14H,6,9,11,13H2,1-3H3,(H2,22,23,27)