2-[(4-cyclohexyl-5-phenyl-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-phenyl-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-phenyl-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-phenyl-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-phenyl-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-phenyl-1,2,4-triazol-3-yl)thio]-N-[5-keto-7-(2-thienyl)-7,8-dihydro-6H-quinazolin-2-yl]acetamide Formula: C28H28N6O2S2 MolecularWeight: 544.69092

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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=CC=CC=C6

Isomeric SMILES

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

InChI

InChI=1S/C28H28N6O2S2/c35-23-15-19(24-12-7-13-37-24)14-22-21(23)16-29-27(30-22)31-25(36)17-38-28-33-32-26(18-8-3-1-4-9-18)34(28)20-10-5-2-6-11-20/h1,3-4,7-9,12-13,16,19-20H,2,5-6,10-11,14-15,17H2,(H,29,30,31,36)