4-[4-(2-methyl-4-methylsulfanyl-phenyl)tridecyl]-1,2,4-triazole

Systemtic Name: 4-[4-(2-methyl-4-methylsulfanyl-phenyl)tridecyl]-1,2,4-triazole Openeye Name: 4-[4-(2-methyl-4-methylsulfanyl-phenyl)tridecyl]-1,2,4-triazole CAS Name: 4-[4-[2-methyl-4-(methylthio)phenyl]tridecyl]-1,2,4-triazole IUPAC Name: 4-[4-(2-methyl-4-methylsulfanylphenyl)tridecyl]-1,2,4-triazole Traditional Name: 4-[4-[2-methyl-4-(methylthio)phenyl]tridecyl]-1,2,4-triazole Formula: C23H37N3S MolecularWeight: 387.62498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCN1C=NN=C1)C2=C(C=C(C=C2)SC)C

Isomeric SMILES

CCCCCCCCCC(CCCN1C=NN=C1)C2=C(C=C(C=C2)SC)C

InChI

InChI=1S/C23H37N3S/c1-4-5-6-7-8-9-10-12-21(13-11-16-26-18-24-25-19-26)23-15-14-22(27-3)17-20(23)2/h14-15,17-19,21H,4-13,16H2,1-3H3