ethyl (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate

Systemtic Name: ethyl (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: (2S)-2-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: (2S)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

InChI

InChI=1S/C18H22N4O3S/c1-4-25-17(23)12(2)26-18-21-20-16(22(18)9-10-24-3)14-11-19-15-8-6-5-7-13(14)15/h5-8,11-12,20H,4,9-10H2,1-3H3/t12-/m0/s1