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

Systemtic Name: 2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6OS/c1-2-26-19(15-8-4-3-5-9-15)24-25-21(26)29-14-18-23-17-11-7-6-10-16(17)20(28)27(18)13-12-22/h3-11H,2,13-14H2,1H3