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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3C(=O)N2CC#N)CC4=CC=CC=C4

InChI

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