5-(benzotriazol-1-yl)-6-methyl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 5-(benzotriazol-1-yl)-6-methyl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-5-(benzotriazol-1-yl)-6-methyl-pyridine-3-carbonitrile CAS Name: 5-(1-benzotriazolyl)-6-methyl-2-(2-oxopropylthio)-3-pyridinecarbonitrile IUPAC Name: 5-(benzotriazol-1-yl)-6-methyl-2-(2-oxopropylsulfanyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-5-(benzotriazol-1-yl)-6-methyl-nicotinonitrile Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)C)C#N)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)C)C#N)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H13N5OS/c1-10(22)9-23-16-12(8-17)7-15(11(2)18-16)21-14-6-4-3-5-13(14)19-20-21/h3-7H,9H2,1-2H3