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

Systemtic Name: 2-[2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=NC5=CC=CC=C5C(=O)N4CC#N

InChI

InChI=1S/C23H20N6OS/c24-12-13-28-20(25-19-9-5-4-8-18(19)22(28)30)15-31-23-27-26-21(17-10-11-17)29(23)14-16-6-2-1-3-7-16/h1-9,17H,10-11,13-15H2