4-(4-chloranyl-2-methyl-phenyl)-2-(1,2,4-triazol-1-ylmethyl)dodecanenitrile

Systemtic Name: 4-(4-chloranyl-2-methyl-phenyl)-2-(1,2,4-triazol-1-ylmethyl)dodecanenitrile Openeye Name: 4-(4-chloro-2-methyl-phenyl)-2-(1,2,4-triazol-1-ylmethyl)dodecanenitrile CAS Name: 4-(4-chloro-2-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)dodecanenitrile IUPAC Name: 4-(4-chloro-2-methylphenyl)-2-(1,2,4-triazol-1-ylmethyl)dodecanenitrile Traditional Name: 4-(4-chloro-2-methyl-phenyl)-2-(1,2,4-triazol-1-ylmethyl)lauronitrile Formula: C22H31ClN4 MolecularWeight: 386.96134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC(CN1C=NC=N1)C#N)C2=C(C=C(C=C2)Cl)C

Isomeric SMILES

CCCCCCCCC(CC(CN1C=NC=N1)C#N)C2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C22H31ClN4/c1-3-4-5-6-7-8-9-20(22-11-10-21(23)12-18(22)2)13-19(14-24)15-27-17-25-16-26-27/h10-12,16-17,19-20H,3-9,13,15H2,1-2H3