2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(o-tolyl)quinazolin-4-one CAS Name: 2-[[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(2-methylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(2-methylphenyl)quinazolin-4-one Traditional Name: 2-[[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-3-(o-tolyl)quinazolin-4-one Formula: C30H29N5OS MolecularWeight: 507.64916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=C(N4C5CCCCC5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=C(N4C5CCCCC5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N5OS/c1-21-12-8-11-19-26(21)35-27(31-25-18-10-9-17-24(25)29(35)36)20-37-30-33-32-28(22-13-4-2-5-14-22)34(30)23-15-6-3-7-16-23/h2,4-5,8-14,17-19,23H,3,6-7,15-16,20H2,1H3