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

Systemtic Name: 6-chloranyl-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H16ClN5OS2 MolecularWeight: 429.94624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=C(N3)C=CC(=C4)Cl)CC5=CC=CS5

InChI

InChI=1S/C19H16ClN5OS2/c20-11-3-6-15-14(8-11)18(26)22-16(21-15)10-28-19-24-23-17(25(19)12-4-5-12)9-13-2-1-7-27-13/h1-3,6-8,12H,4-5,9-10H2,(H,21,22,26)