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

Systemtic Name: 2-[1-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[1-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[1-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[1-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[1-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]-1H-quinazolin-4-one Formula: C17H15N5OS2 MolecularWeight: 369.4639

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)SC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C17H15N5OS2/c1-10(15-18-13-7-3-2-6-12(13)16(23)20-15)25-17-19-14(21-22-17)9-11-5-4-8-24-11/h2-8,10H,9H2,1H3,(H,18,20,23)(H,19,21,22)