4-phenyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-phenyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-allylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 4-phenyl-3-(prop-2-enylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-phenyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(allylthio)-4-phenyl-1H-1,2,4-triazol-5-one Formula: C11H11N3OS MolecularWeight: 233.28954

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NNC(=O)N1C2=CC=CC=C2

Isomeric SMILES

C=CCSC1=NNC(=O)N1C2=CC=CC=C2

InChI

InChI=1S/C11H11N3OS/c1-2-8-16-11-13-12-10(15)14(11)9-6-4-3-5-7-9/h2-7H,1,8H2,(H,12,15)