N3-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine

Systemtic Name: N3-[(E)-(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-5-methyl-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-5-methyl-1,2,4-triazol-3-yl)-[(E)-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)amino]amine Formula: C14H15BrN6O2 MolecularWeight: 379.2119

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1N)NN=CC2=CC(=C(C(=C2)Br)OCC#C)OC

Isomeric SMILES

CC1=NN=C(N1N)N/N=C/C2=CC(=C(C(=C2)Br)OCC#C)OC

InChI

InChI=1S/C14H15BrN6O2/c1-4-5-23-13-11(15)6-10(7-12(13)22-3)8-17-19-14-20-18-9(2)21(14)16/h1,6-8H,5,16H2,2-3H3,(H,19,20)/b17-8+