2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-ethoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-ethoxyphenyl)quinazolin-4-one Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-ethoxyphenyl)quinazolin-4-one CAS Name: 2-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-(4-ethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(4-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-3-p-phenetyl-quinazolin-4-one Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=C(N4N)C5CC5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NN=C(N4N)C5CC5

InChI

InChI=1S/C22H22N6O2S/c1-2-30-16-11-9-15(10-12-16)27-19(24-18-6-4-3-5-17(18)21(27)29)13-31-22-26-25-20(28(22)23)14-7-8-14/h3-6,9-12,14H,2,7-8,13,23H2,1H3