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

Systemtic Name: methyl 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)OC

Isomeric SMILES

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)OC

InChI

InChI=1S/C16H18N4O3S/c1-22-8-7-20-15(18-19-16(20)24-10-14(21)23-2)12-9-17-13-6-4-3-5-11(12)13/h3-6,9,18H,7-8,10H2,1-2H3