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

Systemtic Name: 2-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C22H18N6OS/c23-12-13-27-19(24-18-9-5-4-8-17(18)21(27)29)14-30-22-26-25-20(15-10-11-15)28(22)16-6-2-1-3-7-16/h1-9,15H,10-11,13-14H2