4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzenecarbonitrile Openeye Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzonitrile CAS Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzonitrile IUPAC Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzonitrile Traditional Name: 4-(5-tridecyl-1,3,4-thiadiazol-2-yl)benzonitrile Formula: C22H31N3S MolecularWeight: 369.56664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C22H31N3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-24-25-22(26-21)20-16-14-19(18-23)15-17-20/h14-17H,2-13H2,1H3