3-[3-[2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[3-(2,3-dimethylcyclohexyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[3-(2,3-dimethylcyclohexyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[[3-(2,3-dimethylcyclohexyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[3-(2,3-dimethylcyclohexyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[[3-(2,3-dimethylcyclohexyl)-4-keto-quinazolin-2-yl]thio]acetyl]indol-1-yl]propionitrile Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

CC1CCCC(C1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C29H30N4O2S/c1-19-9-7-14-25(20(19)2)33-28(35)22-11-3-5-12-24(22)31-29(33)36-18-27(34)23-17-32(16-8-15-30)26-13-6-4-10-21(23)26/h3-6,10-13,17,19-20,25H,7-9,14,16,18H2,1-2H3