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

Systemtic Name: 2-[2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C20H17N7OS MolecularWeight: 403.46028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

InChI=1S/C20H17N7OS/c1-13-6-8-14(9-7-13)18-24-25-20(27(18)22)29-12-17-23-16-5-3-2-4-15(16)19(28)26(17)11-10-21/h2-9H,11-12,22H2,1H3