ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate

Systemtic Name: ethyl 6-oxidanylidene-6-[2-oxidanylidene-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate Openeye Name: ethyl 6-[5-[(5-allyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-2-oxo-1,3-dihydroimidazol-4-yl]-6-oxo-hexanoate CAS Name: 6-oxo-6-[2-oxo-5-[[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-1,3-dihydroimidazol-4-yl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-oxo-6-[2-oxo-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1,3-dihydroimidazol-4-yl]hexanoate Traditional Name: 6-[5-[[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]-2-keto-4-imidazolin-4-yl]-6-keto-hexanoic acid ethyl ester Formula: C24H26N6O4S MolecularWeight: 494.56604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2

InChI

InChI=1S/C24H26N6O4S/c1-3-13-30-17-10-6-5-9-15(17)20-22(30)27-24(29-28-20)35-14-16-21(26-23(33)25-16)18(31)11-7-8-12-19(32)34-4-2/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3,(H2,25,26,33)