3-[(4-methylsulfanylphenyl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-methylsulfanylphenyl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[[4-(methylthio)phenyl]methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[[4-(methylthio)benzyl]thio]-1H-1,2,4-triazol-5-one Formula: C17H17N3OS2 MolecularWeight: 343.46638

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS2/c1-22-15-9-7-14(8-10-15)12-23-17-19-18-16(21)20(17)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,18,21)