4-phenethyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-benzylsulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 3-benzylsulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(benzylthio)-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3OS/c21-16-18-19-17(22-13-15-9-5-2-6-10-15)20(16)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,18,21)