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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C18H20N6O2S/c25-15(23-9-5-1-2-6-10-23)11-27-18-21-14-8-4-3-7-13(14)16(26)24(18)17-19-12-20-22-17/h3-4,7-8,12H,1-2,5-6,9-11H2,(H,19,20,22)