2-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: 2-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: 2-[2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetamide CAS Name: 2-[2-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetamide IUPAC Name: 2-[2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[2-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetamide Formula: C20H18N6O2S2 MolecularWeight: 438.52592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C5=CC=CS5

InChI

InChI=1S/C20H18N6O2S2/c21-16(27)10-25-17(22-14-5-2-1-4-13(14)19(25)28)11-30-20-24-23-18(15-6-3-9-29-15)26(20)12-7-8-12/h1-6,9,12H,7-8,10-11H2,(H2,21,27)