N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-allylsulfanyl-N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-1H-1,2,4-triazol-5-amine CAS Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-(prop-2-enylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-(allylthio)-1H-1,2,4-triazol-5-yl]-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]amine Formula: C14H15N5O2S MolecularWeight: 317.3662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC(=NN1)SCC=C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C/C(=N\NC1=NC(=NN1)SCC=C)/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N5O2S/c1-3-6-22-14-15-13(18-19-14)17-16-9(2)10-4-5-11-12(7-10)21-8-20-11/h3-5,7H,1,6,8H2,2H3,(H2,15,17,18,19)/b16-9+