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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

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