2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[2-(4-ethoxyphenoxy)ethylthio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[2-(4-ethoxyphenoxy)ethylthio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3C(=O)N2C4=NC=NN4

InChI

InChI=1S/C20H19N5O3S/c1-2-27-14-7-9-15(10-8-14)28-11-12-29-20-23-17-6-4-3-5-16(17)18(26)25(20)19-21-13-22-24-19/h3-10,13H,2,11-12H2,1H3,(H,21,22,24)