2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[2-(azocan-1-yl)-2-oxo-ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[[2-(1-azocanyl)-2-oxoethyl]thio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[2-(azocan-1-yl)-2-oxoethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[[2-(azocan-1-yl)-2-keto-ethyl]thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C1CCCN(CCC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

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