N-(cyclohexylmethyl)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyclohexylmethyl)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyclohexylmethyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(cyclohexylmethyl)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(cyclohexylmethyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(cyclohexylmethyl)-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]acetamide Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C19H22N6O2S/c26-16(20-10-13-6-2-1-3-7-13)11-28-19-23-15-9-5-4-8-14(15)17(27)25(19)18-21-12-22-24-18/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,20,26)(H,21,22,24)