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

Systemtic Name: 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C16H17N5S3 MolecularWeight: 375.53468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC#N)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN1C(=NN=C1SCCCC#N)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H17N5S3/c1-2-21-14(19-20-15(21)22-10-6-5-9-17)11-23-16-18-12-7-3-4-8-13(12)24-16/h3-4,7-8H,2,5-6,10-11H2,1H3