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

Systemtic Name: 4-(phenylmethyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 3-allylsulfanyl-4-benzyl-1H-1,2,4-triazol-5-one CAS Name: 4-(phenylmethyl)-3-(prop-2-enylthio)-1H-1,2,4-triazol-5-one IUPAC Name: 4-benzyl-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(allylthio)-4-benzyl-1H-1,2,4-triazol-5-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3OS/c1-2-8-17-12-14-13-11(16)15(12)9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H,13,16)