3-[3-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[7-chloranyl-3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(7-chloro-3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[[7-chloro-3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(7-chloro-3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C26H25ClN4O2S MolecularWeight: 493.0203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C26H25ClN4O2S/c1-17(2)10-13-31-25(33)20-9-8-18(27)14-22(20)29-26(31)34-16-24(32)21-15-30(12-5-11-28)23-7-4-3-6-19(21)23/h3-4,6-9,14-15,17H,5,10,12-13,16H2,1-2H3