O-ethyl [4-(1,3-benzothiazol-2-yl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [4-(1,3-benzothiazol-2-yl)-1-imidazol-1-yl-butan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [3-(1,3-benzothiazol-2-yl)-1-(imidazol-1-ylmethyl)propyl]sulfanylmethanethioate CAS Name: [[4-(1,3-benzothiazol-2-yl)-1-(1-imidazolyl)butan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [4-(1,3-benzothiazol-2-yl)-1-imidazol-1-ylbutan-2-yl]sulfanylmethanethioate Traditional Name: [[3-(1,3-benzothiazol-2-yl)-1-(imidazol-1-ylmethyl)propyl]thio]methanethioic acid O-ethyl ester Formula: C17H19N3OS3 MolecularWeight: 377.54726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC1=NC2=CC=CC=C2S1)CN3C=CN=C3

Isomeric SMILES

CCOC(=S)SC(CCC1=NC2=CC=CC=C2S1)CN3C=CN=C3

InChI

InChI=1S/C17H19N3OS3/c1-2-21-17(22)23-13(11-20-10-9-18-12-20)7-8-16-19-14-5-3-4-6-15(14)24-16/h3-6,9-10,12-13H,2,7-8,11H2,1H3