4-[2-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxidanylidene-ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-[[2-(1-imidazolylmethyl)phenyl]methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-[[2-(imidazol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[[2-(imidazol-1-ylmethyl)benzyl]amino]-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C19H17N6OS2- MolecularWeight: 409.50788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3)CN4C=CN=C4

Isomeric SMILES

C1=CC=C(C(=C1)CNC(=O)CN2C(=NN=C2[S-])C3=CC=CS3)CN4C=CN=C4

InChI

InChI=1S/C19H18N6OS2/c26-17(12-25-18(22-23-19(25)27)16-6-3-9-28-16)21-10-14-4-1-2-5-15(14)11-24-8-7-20-13-24/h1-9,13H,10-12H2,(H,21,26)(H,23,27)/p-1