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

Systemtic Name: methyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: (2R)-2-[[4-ethyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CC

Isomeric SMILES

CC[C@H](C(=O)OC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CC

InChI

InChI=1S/C17H20N4O2S/c1-4-14(16(22)23-3)24-17-20-19-15(21(17)5-2)12-10-18-13-9-7-6-8-11(12)13/h6-10,14,19H,4-5H2,1-3H3/t14-/m1/s1