1-(2-cyclohexyl-2-oxidanylidene-ethyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-(2-cyclohexyl-2-oxidanylidene-ethyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 4-allyl-1-(2-cyclohexyl-2-oxo-ethyl)sulfanyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[(2-cyclohexyl-2-oxoethyl)thio]-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-(2-cyclohexyl-2-oxoethyl)sulfanyl-4-prop-2-enyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 4-allyl-1-[(2-cyclohexyl-2-keto-ethyl)thio]-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4CCCCC4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N3C1=NN=C3SCC(=O)C4CCCCC4

InChI

InChI=1S/C20H22N4O2S/c1-2-12-23-18(26)15-10-6-7-11-16(15)24-19(23)21-22-20(24)27-13-17(25)14-8-4-3-5-9-14/h2,6-7,10-11,14H,1,3-5,8-9,12-13H2