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

Systemtic Name: 2-[4-oxidanylidene-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C24H18N6OS2 MolecularWeight: 470.56932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N)C5=CC=CS5

InChI

InChI=1S/C24H18N6OS2/c25-12-13-29-21(26-19-10-5-4-9-18(19)23(29)31)16-33-24-28-27-22(20-11-6-14-32-20)30(24)15-17-7-2-1-3-8-17/h1-11,14H,13,15-16H2