4-[(Z)-(4-dimethylaminophenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(Z)-(4-dimethylaminophenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[(Z)-(4-dimethylaminophenyl)methyleneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(Z)-(4-dimethylaminophenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(Z)-(4-dimethylaminophenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[(Z)-[4-(dimethylamino)benzylidene]amino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Formula: C18H18N5OS- MolecularWeight: 352.43342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NN2C(=NN=C2[S-])COC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=N\N2C(=NN=C2[S-])COC3=CC=CC=C3

InChI

InChI=1S/C18H19N5OS/c1-22(2)15-10-8-14(9-11-15)12-19-23-17(20-21-18(23)25)13-24-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,25)/p-1/b19-12-