4-phenethyl-3-phenethylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenethyl-3-phenethylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-phenethylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-phenethyl-3-(phenethylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenethyl-3-phenethylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-(phenethylthio)-1H-1,2,4-triazol-5-one Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)NN=C2SCCC3=CC=CC=C3

InChI

InChI=1S/C18H19N3OS/c22-17-19-20-18(23-14-12-16-9-5-2-6-10-16)21(17)13-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,19,22)