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

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C17H18N6O2S/c24-14(22-8-4-1-5-9-22)10-26-17-20-13-7-3-2-6-12(13)15(25)23(17)16-18-11-19-21-16/h2-3,6-7,11H,1,4-5,8-10H2,(H,18,19,21)