4-(2-methyl-4-methylsulfanyl-phenyl)-2-(1,2,4-triazol-4-ylmethyl)tridecanenitrile

Systemtic Name: 4-(2-methyl-4-methylsulfanyl-phenyl)-2-(1,2,4-triazol-4-ylmethyl)tridecanenitrile Openeye Name: 4-(2-methyl-4-methylsulfanyl-phenyl)-2-(1,2,4-triazol-4-ylmethyl)tridecanenitrile CAS Name: 4-[2-methyl-4-(methylthio)phenyl]-2-(1,2,4-triazol-4-ylmethyl)tridecanenitrile IUPAC Name: 4-(2-methyl-4-methylsulfanylphenyl)-2-(1,2,4-triazol-4-ylmethyl)tridecanenitrile Traditional Name: 4-[2-methyl-4-(methylthio)phenyl]-2-(1,2,4-triazol-4-ylmethyl)tridecanenitrile Formula: C24H36N4S MolecularWeight: 412.63444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC(CN1C=NN=C1)C#N)C2=C(C=C(C=C2)SC)C

Isomeric SMILES

CCCCCCCCCC(CC(CN1C=NN=C1)C#N)C2=C(C=C(C=C2)SC)C

InChI

InChI=1S/C24H36N4S/c1-4-5-6-7-8-9-10-11-22(24-13-12-23(29-3)14-20(24)2)15-21(16-25)17-28-18-26-27-19-28/h12-14,18-19,21-22H,4-11,15,17H2,1-3H3