2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]ethanenitrile

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]ethanenitrile Openeye Name: 2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiazol-2-yl]acetonitrile CAS Name: 2-[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-thiazolyl]acetonitrile IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]acetonitrile Traditional Name: 2-[4-[(1,3-benzothiazol-2-ylthio)methyl]thiazol-2-yl]acetonitrile Formula: C13H9N3S3 MolecularWeight: 303.42566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC3=CSC(=N3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC3=CSC(=N3)CC#N

InChI

InChI=1S/C13H9N3S3/c14-6-5-12-15-9(7-17-12)8-18-13-16-10-3-1-2-4-11(10)19-13/h1-4,7H,5,8H2