2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxidanylidene-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)ethanamide

Systemtic Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxidanylidene-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxo-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(5-keto-7-phenyl-7,8-dihydro-6H-quinazolin-2-yl)acetamide Formula: C29H29N7O2S MolecularWeight: 539.65126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=NC=C4C(=N3)CC(CC4=O)C5=CC=CC=C5)C6=CN=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=NC=C4C(=N3)CC(CC4=O)C5=CC=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C29H29N7O2S/c37-25-15-21(19-8-3-1-4-9-19)14-24-23(25)17-31-28(32-24)33-26(38)18-39-29-35-34-27(20-10-7-13-30-16-20)36(29)22-11-5-2-6-12-22/h1,3-4,7-10,13,16-17,21-22H,2,5-6,11-12,14-15,18H2,(H,31,32,33,38)