2-[4-methyl-5-(3-oxidanylidenecyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzenecarbonitrile

Systemtic Name: 2-[4-methyl-5-(3-oxidanylidenecyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzenecarbonitrile Openeye Name: 2-[4-methyl-5-(3-oxocyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzonitrile CAS Name: 2-[4-methyl-5-(3-oxocyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzonitrile IUPAC Name: 2-[4-methyl-5-(3-oxocyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzonitrile Traditional Name: 2-[5-(3-ketocyclohexyl)imino-4-methyl-1,3,4-thiadiazol-2-yl]benzonitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2CCCC(=O)C2)SC(=N1)C3=CC=CC=C3C#N

Isomeric SMILES

CN1C(=NC2CCCC(=O)C2)SC(=N1)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H16N4OS/c1-20-16(18-12-6-4-7-13(21)9-12)22-15(19-20)14-8-3-2-5-11(14)10-17/h2-3,5,8,12H,4,6-7,9H2,1H3