1-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-1,2,3,4-tetrazol-5-amine

Systemtic Name: 1-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-1,2,3,4-tetrazol-5-amine Openeye Name: 1-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]tetrazol-5-amine CAS Name: 1-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-tetrazolamine IUPAC Name: 1-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]tetrazol-5-amine Traditional Name: [1-[(E)-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]tetrazol-5-yl]amine Formula: C12H11BrN6O2 MolecularWeight: 351.15874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NN2C(=NN=N2)N)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/N2C(=NN=N2)N)Br)OCC#C

InChI

InChI=1S/C12H11BrN6O2/c1-3-4-21-11-9(13)5-8(6-10(11)20-2)7-15-19-12(14)16-17-18-19/h1,5-7H,4H2,2H3,(H2,14,16,18)/b15-7+