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

Systemtic Name: 4-[4-methyl-5-(3-oxidanylidenecyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzenecarbonitrile Openeye Name: 4-[4-methyl-5-(3-oxocyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzonitrile CAS Name: 4-[4-methyl-5-(3-oxocyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzonitrile IUPAC Name: 4-[4-methyl-5-(3-oxocyclohexyl)imino-1,3,4-thiadiazol-2-yl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4OS/c1-20-16(18-13-3-2-4-14(21)9-13)22-15(19-20)12-7-5-11(10-17)6-8-12/h5-8,13H,2-4,9H2,1H3