2-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C28H30N6OS MolecularWeight: 498.6424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C28H30N6OS/c1-28(2,3)20-14-12-19(13-15-20)25-31-32-27(34(25)21-8-4-5-9-21)36-18-24-30-23-11-7-6-10-22(23)26(35)33(24)17-16-29/h6-7,10-15,21H,4-5,8-9,17-18H2,1-3H3