1-[(E)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-3-(3-methoxyphenyl)thiourea

Systemtic Name: 1-[(E)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[(E)-[3,5-dimethyl-1-(p-tolylmethyl)pyrazol-4-yl]methyleneamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[(E)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]methylideneamino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[(E)-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methylideneamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[(E)-[3,5-dimethyl-1-(4-methylbenzyl)pyrazol-4-yl]methyleneamino]-3-(3-methoxyphenyl)thiourea Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=NNC(=S)NC3=CC(=CC=C3)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=N/NC(=S)NC3=CC(=CC=C3)OC)C

InChI

InChI=1S/C22H25N5OS/c1-15-8-10-18(11-9-15)14-27-17(3)21(16(2)26-27)13-23-25-22(29)24-19-6-5-7-20(12-19)28-4/h5-13H,14H2,1-4H3,(H2,24,25,29)/b23-13+