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

Systemtic Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H17N5OS2 MolecularWeight: 395.50118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=NC(=O)C4=CC=CC=C4N3)CC5=CC=CS5

InChI

InChI=1S/C19H17N5OS2/c25-18-14-5-1-2-6-15(14)20-16(21-18)11-27-19-23-22-17(24(19)12-7-8-12)10-13-4-3-9-26-13/h1-6,9,12H,7-8,10-11H2,(H,20,21,25)