2-(1,3-benzothiazol-2-ylsulfanyl)-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-(methoxymethyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-4-(methoxymethyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-4-(methoxymethyl)-6-methyl-nicotinonitrile Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)COC)C#N)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=NC(=C(C(=C1)COC)C#N)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H13N3OS2/c1-10-7-11(9-20-2)12(8-17)15(18-10)22-16-19-13-5-3-4-6-14(13)21-16/h3-7H,9H2,1-2H3