2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4,5,6-trimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4,5,6-trimethyl-pyridine-3-carbonitrile Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4,5,6-trimethyl-pyridine-3-carbonitrile CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-4,5,6-trimethyl-3-pyridinecarbonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-4,5,6-trimethylpyridine-3-carbonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-4,5,6-trimethyl-nicotinonitrile Formula: C17H15N3S2 MolecularWeight: 325.4511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C17H15N3S2/c1-10-11(2)13(8-18)17(19-12(10)3)21-9-16-20-14-6-4-5-7-15(14)22-16/h4-7H,9H2,1-3H3