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

Systemtic Name: methyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2R)-2-[[4-ethyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SC(C)C(=O)OC

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1S[C@H](C)C(=O)OC

InChI

InChI=1S/C16H18N4O2S/c1-4-20-14(12-9-17-13-8-6-5-7-11(12)13)18-19-16(20)23-10(2)15(21)22-3/h5-10,18H,4H2,1-3H3/t10-/m1/s1