3-(4-cyano-3-methyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methyl-benzenecarbonitrile

Systemtic Name: 3-(4-cyano-3-methyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methyl-benzenecarbonitrile Openeye Name: 3-(4-cyano-3-methyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methyl-benzonitrile CAS Name: 3-(4-cyano-3-methylphenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methylbenzonitrile IUPAC Name: 3-(4-cyano-3-methylphenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methylbenzonitrile Traditional Name: 3-(4-cyano-3-methyl-phenyl)-4-(5-cyclohexylimino-4-methyl-1,3,4-thiadiazol-2-yl)-2-methyl-benzonitrile Formula: C25H25N5S MolecularWeight: 427.5645

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(C=CC(=C2C)C#N)C3=NN(C(=NC4CCCCC4)S3)C)C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(C=CC(=C2C)C#N)C3=NN(C(=NC4CCCCC4)S3)C)C#N

InChI

InChI=1S/C25H25N5S/c1-16-13-18(9-10-19(16)14-26)23-17(2)20(15-27)11-12-22(23)24-29-30(3)25(31-24)28-21-7-5-4-6-8-21/h9-13,21H,4-8H2,1-3H3