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

Systemtic Name: 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Openeye Name: 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile CAS Name: 4-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]butanenitrile IUPAC Name: 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile Traditional Name: 4-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]butyronitrile Formula: C20H17N5S3 MolecularWeight: 423.57748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC#N)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N5S3/c21-12-6-7-13-26-19-24-23-18(25(19)15-8-2-1-3-9-15)14-27-20-22-16-10-4-5-11-17(16)28-20/h1-5,8-11H,6-7,13-14H2