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

Systemtic Name: methyl (2R)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: methyl (2R)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: (2R)-2-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: (2R)-2-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]butyric acid methyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

Isomeric SMILES

CC[C@H](C(=O)OC)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

InChI

InChI=1S/C18H22N4O3S/c1-4-15(17(23)25-3)26-18-21-20-16(22(18)9-10-24-2)13-11-19-14-8-6-5-7-12(13)14/h5-8,11,15,20H,4,9-10H2,1-3H3/t15-/m1/s1