5,5-dimethyl-2-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole

Systemtic Name: 5,5-dimethyl-2-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5,5-dimethyl-2-phenyl-1H-1,2,4-triazole CAS Name: 5,5-dimethyl-2-phenyl-3-(phenylmethylthio)-1H-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-5,5-dimethyl-2-phenyl-1H-1,2,4-triazole Traditional Name: 3-(benzylthio)-5,5-dimethyl-2-phenyl-1H-1,2,4-triazole Formula: C17H19N3S MolecularWeight: 297.41786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NN(C(=N1)SCC2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(NN(C(=N1)SCC2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H19N3S/c1-17(2)18-16(21-13-14-9-5-3-6-10-14)20(19-17)15-11-7-4-8-12-15/h3-12,19H,13H2,1-2H3