3-[(4-methylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-methylphenyl)methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-methylbenzyl)thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c1-14-7-9-16(10-8-14)13-23-18-20-19-17(22)21(18)12-11-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,19,22)