2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetonitrile Traditional Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetonitrile Formula: C14H13N5S3 MolecularWeight: 347.48152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC#N)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN1C(=NN=C1SCC#N)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H13N5S3/c1-2-19-12(17-18-13(19)20-8-7-15)9-21-14-16-10-5-3-4-6-11(10)22-14/h3-6H,2,8-9H2,1H3