diethyl 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate

Systemtic Name: diethyl 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate Openeye Name: diethyl 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate CAS Name: 2-[[(5Z)-4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanedioate Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-p-phenetyl-1H-1,2,4-triazol-3-yl]thio]malonic acid diethyl ester Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SC(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SC(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C25H26N4O5S/c1-4-32-17-13-11-16(12-14-17)29-22(19-15-26-20-10-8-7-9-18(19)20)27-28-25(29)35-21(23(30)33-5-2)24(31)34-6-3/h7-15,21,27H,4-6H2,1-3H3/b22-19-