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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C18H15N5OS2 MolecularWeight: 381.4746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)C5=CC=CS5

InChI

InChI=1S/C18H15N5OS2/c24-17-12-4-1-2-5-13(12)19-15(20-17)10-26-18-22-21-16(14-6-3-9-25-14)23(18)11-7-8-11/h1-6,9,11H,7-8,10H2,(H,19,20,24)