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

Systemtic Name: methyl 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[(5Z)-4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(5Z)-4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-p-phenetyl-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2/C(=C\3/C=NC4=CC=CC=C43)/NN=C2SCC(=O)OC

InChI

InChI=1S/C21H20N4O3S/c1-3-28-15-10-8-14(9-11-15)25-20(23-24-21(25)29-13-19(26)27-2)17-12-22-18-7-5-4-6-16(17)18/h4-12,23H,3,13H2,1-2H3/b20-17-