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

Systemtic Name: 3-ethylsulfanyl-4-(phenylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 4-benzyl-3-ethylsulfanyl-1H-1,2,4-triazol-5-one CAS Name: 3-(ethylthio)-4-(phenylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-ethylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-benzyl-3-(ethylthio)-1H-1,2,4-triazol-5-one Formula: C11H13N3OS MolecularWeight: 235.30542

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NNC(=O)N1CC2=CC=CC=C2

Isomeric SMILES

CCSC1=NNC(=O)N1CC2=CC=CC=C2

InChI

InChI=1S/C11H13N3OS/c1-2-16-11-13-12-10(15)14(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,12,15)