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

Systemtic Name: 2-[2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(4-benzyl-5-methyl-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:

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C21H18N6OS/c1-15-24-25-21(27(15)13-16-7-3-2-4-8-16)29-14-19-23-18-10-6-5-9-17(18)20(28)26(19)12-11-22/h2-10H,12-14H2,1H3