3-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole

Systemtic Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Openeye Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole CAS Name: 3-[(2,5-dimethylphenyl)methylthio]-5-phenyl-1H-1,2,4-triazole IUPAC Name: 3-[(2,5-dimethylphenyl)methylsulfanyl]-5-phenyl-1H-1,2,4-triazole Traditional Name: 3-[(2,5-dimethylbenzyl)thio]-5-phenyl-1H-1,2,4-triazole Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-12-8-9-13(2)15(10-12)11-21-17-18-16(19-20-17)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,19,20)