4-[3-[2-(4-methoxy-2-methyl-phenyl)sulfanylphenyl]pentadecyl]-1,2,4-triazole

Systemtic Name: 4-[3-[2-(4-methoxy-2-methyl-phenyl)sulfanylphenyl]pentadecyl]-1,2,4-triazole Openeye Name: 4-[3-[2-(4-methoxy-2-methyl-phenyl)sulfanylphenyl]pentadecyl]-1,2,4-triazole CAS Name: 4-[3-[2-[(4-methoxy-2-methylphenyl)thio]phenyl]pentadecyl]-1,2,4-triazole IUPAC Name: 4-[3-[2-(4-methoxy-2-methylphenyl)sulfanylphenyl]pentadecyl]-1,2,4-triazole Traditional Name: 4-[3-[2-[(4-methoxy-2-methyl-phenyl)thio]phenyl]pentadecyl]-1,2,4-triazole Formula: C31H45N3OS MolecularWeight: 507.7735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCN1C=NN=C1)C2=CC=CC=C2SC3=C(C=C(C=C3)OC)C

Isomeric SMILES

CCCCCCCCCCCCC(CCN1C=NN=C1)C2=CC=CC=C2SC3=C(C=C(C=C3)OC)C

InChI

InChI=1S/C31H45N3OS/c1-4-5-6-7-8-9-10-11-12-13-16-27(21-22-34-24-32-33-25-34)29-17-14-15-18-31(29)36-30-20-19-28(35-3)23-26(30)2/h14-15,17-20,23-25,27H,4-13,16,21-22H2,1-3H3