6-chloranyl-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H14ClN5OS2 MolecularWeight: 415.91966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C18H14ClN5OS2/c19-10-3-6-13-12(8-10)17(25)21-15(20-13)9-27-18-23-22-16(14-2-1-7-26-14)24(18)11-4-5-11/h1-3,6-8,11H,4-5,9H2,(H,20,21,25)