1-[[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzotriazole

Systemtic Name: 1-[[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzotriazole Openeye Name: 1-[[4-methyl-5-(p-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzotriazole CAS Name: 1-[[4-methyl-5-[(4-methylphenyl)methylthio]-1,2,4-triazol-3-yl]methyl]benzotriazole IUPAC Name: 1-[[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzotriazole Traditional Name: 1-[[4-methyl-5-[(4-methylbenzyl)thio]-1,2,4-triazol-3-yl]methyl]benzotriazole Formula: C18H18N6S MolecularWeight: 350.44072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(N2C)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(N2C)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N6S/c1-13-7-9-14(10-8-13)12-25-18-21-20-17(23(18)2)11-24-16-6-4-3-5-15(16)19-22-24/h3-10H,11-12H2,1-2H3