3-[(4-methylphenyl)methylsulfanyl]-5-(phenylmethyl)-1H-1,2,4-triazole

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-5-(phenylmethyl)-1H-1,2,4-triazole Openeye Name: 5-benzyl-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazole CAS Name: 3-[(4-methylphenyl)methylthio]-5-(phenylmethyl)-1H-1,2,4-triazole IUPAC Name: 5-benzyl-3-[(4-methylphenyl)methylsulfanyl]-1H-1,2,4-triazole Traditional Name: 5-benzyl-3-[(4-methylbenzyl)thio]-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)CSC2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H17N3S/c1-13-7-9-15(10-8-13)12-21-17-18-16(19-20-17)11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,18,19,20)