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

Systemtic Name: 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(4-methyl-1,2,4-triazol-3-yl)thio]methyl]quinazolin-3-yl]acetonitrile Formula: C14H12N6OS MolecularWeight: 312.34968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CN1C=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C14H12N6OS/c1-19-9-16-18-14(19)22-8-12-17-11-5-3-2-4-10(11)13(21)20(12)7-6-15/h2-5,9H,7-8H2,1H3