4-[2-oxidanylidene-2-[(3-phenoxyphenyl)methylamino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-oxidanylidene-2-[(3-phenoxyphenyl)methylamino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-oxo-2-[(3-phenoxyphenyl)methylamino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-oxo-2-[(3-phenoxyphenyl)methylamino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-oxo-2-[(3-phenoxyphenyl)methylamino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[(3-phenoxybenzyl)amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C20H21N4O2S- MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NCC2=CC(=CC=C2)OC3=CC=CC=C3)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)NCC2=CC(=CC=C2)OC3=CC=CC=C3)[S-]

InChI

InChI=1S/C20H22N4O2S/c1-2-7-18-22-23-20(27)24(18)14-19(25)21-13-15-8-6-11-17(12-15)26-16-9-4-3-5-10-16/h3-6,8-12H,2,7,13-14H2,1H3,(H,21,25)(H,23,27)/p-1