N3-[(E)-(3-prop-2-ynoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine

Systemtic Name: N3-[(E)-(3-prop-2-ynoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Openeye Name: N3-[(E)-(3-prop-2-ynoxyphenyl)methyleneamino]-1,2,4-triazole-3,4-diamine CAS Name: N3-[(E)-(3-prop-2-ynoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine IUPAC Name: 3-N-[(E)-(3-prop-2-ynoxyphenyl)methylideneamino]-1,2,4-triazole-3,4-diamine Traditional Name: (4-amino-1,2,4-triazol-3-yl)-[(E)-(3-propargyloxybenzylidene)amino]amine Formula: C12H12N6O MolecularWeight: 256.26328

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC(=C1)C=NNC2=NN=CN2N

Isomeric SMILES

C#CCOC1=CC=CC(=C1)/C=N/NC2=NN=CN2N

InChI

InChI=1S/C12H12N6O/c1-2-6-19-11-5-3-4-10(7-11)8-14-16-12-17-15-9-18(12)13/h1,3-5,7-9H,6,13H2,(H,16,17)/b14-8+