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

Systemtic Name: 2-[4-oxidanylidene-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]ethanamide Openeye Name: 2-[4-oxo-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]acetamide CAS Name: 2-[4-oxo-2-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-3-quinazolinyl]acetamide IUPAC Name: 2-[4-oxo-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinazolin-3-yl]acetamide Formula: C18H16N6O2S2 MolecularWeight: 412.48864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NNC(=N3)CC4=CC=CS4)CC(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NNC(=N3)CC4=CC=CS4)CC(=O)N

InChI

InChI=1S/C18H16N6O2S2/c19-14(25)9-24-16(20-13-6-2-1-5-12(13)17(24)26)10-28-18-21-15(22-23-18)8-11-4-3-7-27-11/h1-7H,8-10H2,(H2,19,25)(H,21,22,23)