4-[2-oxidanylidene-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-oxidanylidene-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-[(2-isopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-oxo-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-[(2-isopropyl-1,3-benzoxazol-5-yl)amino]-2-keto-ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C17H20N5O2S- MolecularWeight: 358.438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)C)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)C)[S-]

InChI

InChI=1S/C17H21N5O2S/c1-4-5-14-20-21-17(25)22(14)9-15(23)18-11-6-7-13-12(8-11)19-16(24-13)10(2)3/h6-8,10H,4-5,9H2,1-3H3,(H,18,23)(H,21,25)/p-1