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

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

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC3=NC4=CC=CC=C4C(=O)N3CC#N

InChI

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