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

Systemtic Name: methyl (2R)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl (2R)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: (2R)-2-[[5-(3-indolylidene)-4-methyl-1H-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: (2R)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2S/c1-9(14(20)21-3)22-15-18-17-13(19(15)2)11-8-16-12-7-5-4-6-10(11)12/h4-9,17H,1-3H3/t9-/m1/s1