3-[2-(3-chloranylphenoxy)ethylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(3-chloranylphenoxy)ethylsulfanyl]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-[2-(3-chlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[2-(3-chlorophenoxy)ethylthio]-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-[2-(3-chlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-[2-(3-chlorophenoxy)ethylthio]-1H-1,2,4-triazol-5-one Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCOC3=CC(=CC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)NN=C2SCCOC3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H16ClN3O2S/c18-14-7-4-8-15(11-14)23-9-10-24-17-20-19-16(22)21(17)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,19,22)