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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C

Isomeric SMILES

CCOC(=O)[C@H](C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1C

InChI

InChI=1S/C16H18N4O2S/c1-4-22-15(21)10(2)23-16-19-18-14(20(16)3)12-9-17-13-8-6-5-7-11(12)13/h5-10,18H,4H2,1-3H3/t10-/m0/s1