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

Systemtic Name: 2-[4-oxidanylidene-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]quinazolin-3-yl]acetonitrile Formula: C17H12N6OS2 MolecularWeight: 380.44678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NNC(=N3)C4=CC=CS4)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)CSC3=NNC(=N3)C4=CC=CS4)CC#N

InChI

InChI=1S/C17H12N6OS2/c18-7-8-23-14(19-12-5-2-1-4-11(12)16(23)24)10-26-17-20-15(21-22-17)13-6-3-9-25-13/h1-6,9H,8,10H2,(H,20,21,22)