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

Systemtic Name: 2-[2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxidanylidene-quinazolin-3-yl]ethanenitrile Openeye Name: 2-[2-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxo-quinazolin-3-yl]acetonitrile CAS Name: 2-[2-[[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-oxo-3-quinazolinyl]acetonitrile IUPAC Name: 2-[2-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4-oxoquinazolin-3-yl]acetonitrile Traditional Name: 2-[2-[[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-keto-quinazolin-3-yl]acetonitrile Formula: C24H24N6OS2 MolecularWeight: 476.61696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=NC4=CC=CC=C4C(=O)N3CC#N)CC5=CC=CS5

InChI

InChI=1S/C24H24N6OS2/c25-12-13-29-22(26-20-11-5-4-10-19(20)23(29)31)16-33-24-28-27-21(15-18-9-6-14-32-18)30(24)17-7-2-1-3-8-17/h4-6,9-11,14,17H,1-3,7-8,13,15-16H2