4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one

Systemtic Name: 4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Openeye Name: 4-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one CAS Name: 4-[[2-(4-methylphenyl)-2-oxoethyl]thio]-1-(3-pyridinylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one IUPAC Name: 4-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Traditional Name: 4-[[2-keto-2-(p-tolyl)ethyl]thio]-1-(3-pyridylmethyl)-5,6,7,8-tetrahydroquinazolin-2-one Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NC(=O)N(C3=C2CCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C23H23N3O2S/c1-16-8-10-18(11-9-16)21(27)15-29-22-19-6-2-3-7-20(19)26(23(28)25-22)14-17-5-4-12-24-13-17/h4-5,8-13H,2-3,6-7,14-15H2,1H3