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

Systemtic Name: 2-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C20H22N6OS/c1-14-23-24-20(26(14)15-7-3-2-4-8-15)28-13-18-22-17-10-6-5-9-16(17)19(27)25(18)12-11-21/h5-6,9-10,15H,2-4,7-8,12-13H2,1H3