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

Systemtic Name: 3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[(2-methoxy-5-methylphenyl)methylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[(2-methoxy-5-methyl-benzyl)thio]-1H-1,2,4-triazol-5-one Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O2S/c1-13-8-9-16(23-2)15(10-13)12-24-18-20-19-17(22)21(18)11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,19,22)