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

Systemtic Name: ethyl (2R)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-4-15(17(23)24-6-3)25-18-21-20-16(22(18)5-2)13-11-19-14-10-8-7-9-12(13)14/h7-11,15,20H,4-6H2,1-3H3/t15-/m1/s1