2-[(4-cyclohexyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-oxidanylidene-7-thiophen-2-yl-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-thiophen-2-yl-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-(2-thienyl)-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-thiophen-2-yl-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-thiophen-2-yl-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-(2-thienyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide Formula: C27H27N7O2S2 MolecularWeight: 545.67898

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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=CS5)C6=CN=CC=C6

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=NC=C4C(=N3)CC(CC4=O)C5=CC=CS5)C6=CN=CC=C6

InChI

InChI=1S/C27H27N7O2S2/c35-22-13-18(23-9-5-11-37-23)12-21-20(22)15-29-26(30-21)31-24(36)16-38-27-33-32-25(17-6-4-10-28-14-17)34(27)19-7-2-1-3-8-19/h4-6,9-11,14-15,18-19H,1-3,7-8,12-13,16H2,(H,29,30,31,36)