1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[3-(1-oxidanylidenethiolan-3-yl)prop-1-ynyl]naphthalen-1-yl]urea

Systemtic Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[3-(1-oxidanylidenethiolan-3-yl)prop-1-ynyl]naphthalen-1-yl]urea Openeye Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[3-(1-oxothiolan-3-yl)prop-1-ynyl]-1-naphthyl]urea CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[4-[3-(1-oxo-3-thiolanyl)prop-1-ynyl]-1-naphthalenyl]urea IUPAC Name: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[3-(1-oxothiolan-3-yl)prop-1-ynyl]naphthalen-1-yl]urea Traditional Name: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[4-[3-(1-ketothiolan-3-yl)prop-1-ynyl]-1-naphthyl]urea Formula: C32H34N4O2S MolecularWeight: 538.70296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)C#CCC5CCS(=O)C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)C#CCC5CCS(=O)C5

InChI

InChI=1S/C32H34N4O2S/c1-22-12-15-25(16-13-22)36-30(20-29(35-36)32(2,3)4)34-31(37)33-28-17-14-24(26-10-5-6-11-27(26)28)9-7-8-23-18-19-39(38)21-23/h5-6,10-17,20,23H,8,18-19,21H2,1-4H3,(H2,33,34,37)