N-[(E)-(3-bromophenyl)methylideneamino]-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-amine

Systemtic Name: N-[(E)-(3-bromophenyl)methylideneamino]-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-allylsulfanyl-N-[(E)-(3-bromophenyl)methyleneamino]-1H-1,2,4-triazol-5-amine CAS Name: N-[(E)-(3-bromophenyl)methylideneamino]-3-(prop-2-enylthio)-1H-1,2,4-triazol-5-amine IUPAC Name: N-[(E)-(3-bromophenyl)methylideneamino]-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-(allylthio)-1H-1,2,4-triazol-5-yl]-[(E)-(3-bromobenzylidene)amino]amine Formula: C12H12BrN5S MolecularWeight: 338.22618

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NNC(=N1)NN=CC2=CC(=CC=C2)Br

Isomeric SMILES

C=CCSC1=NNC(=N1)N/N=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C12H12BrN5S/c1-2-6-19-12-15-11(17-18-12)16-14-8-9-4-3-5-10(13)7-9/h2-5,7-8H,1,6H2,(H2,15,16,17,18)/b14-8+