3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]benzenecarbonitrile

Systemtic Name: 3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]benzenecarbonitrile Openeye Name: 3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]benzonitrile CAS Name: 3-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methyl]benzonitrile IUPAC Name: 3-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]benzonitrile Traditional Name: 3-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]methyl]benzonitrile Formula: C16H13N3S2 MolecularWeight: 311.42452

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NCC3=CC=CC(=C3)C#N

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13N3S2/c1-20-16-19-14-6-5-13(8-15(14)21-16)18-10-12-4-2-3-11(7-12)9-17/h2-8,18H,10H2,1H3