1-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Systemtic Name: 1-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Openeye Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-4-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one CAS Name: 1-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-4-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one IUPAC Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Traditional Name: 1-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-4-(4-ethylphenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)C5=C(C(=C(N5)C)C(=O)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4SCC(=O)C5=C(C(=C(N5)C)C(=O)C)C

InChI

InChI=1S/C27H25N5O3S/c1-5-18-10-12-19(13-11-18)31-25(35)20-8-6-7-9-21(20)32-26(31)29-30-27(32)36-14-22(34)24-15(2)23(17(4)33)16(3)28-24/h6-13,28H,5,14H2,1-4H3