diethyl 3-methyl-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(5-allyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(5-prop-2-enyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(5-allyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C24H25N5O4S MolecularWeight: 479.5514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=NC3=C(C4=CC=CC=C4N3CC=C)N=N2

InChI

InChI=1S/C24H25N5O4S/c1-5-12-29-17-11-9-8-10-15(17)20-21(29)26-24(28-27-20)34-13-16-18(22(30)32-6-2)14(4)19(25-16)23(31)33-7-3/h5,8-11,25H,1,6-7,12-13H2,2-4H3