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

Systemtic Name: 4-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)methylamino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-oxo-2-[(4-pyrrolidin-1-ylphenyl)methylamino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate CAS Name: 4-[2-oxo-2-[[4-(1-pyrrolidinyl)phenyl]methylamino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-oxo-2-[(4-pyrrolidin-1-ylphenyl)methylamino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-keto-2-[(4-pyrrolidinobenzyl)amino]ethyl]-5-propyl-1,2,4-triazole-3-thiolate Formula: C18H24N5OS- MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC(=O)NCC2=CC=C(C=C2)N3CCCC3)[S-]

Isomeric SMILES

CCCC1=NN=C(N1CC(=O)NCC2=CC=C(C=C2)N3CCCC3)[S-]

InChI

InChI=1S/C18H25N5OS/c1-2-5-16-20-21-18(25)23(16)13-17(24)19-12-14-6-8-15(9-7-14)22-10-3-4-11-22/h6-9H,2-5,10-13H2,1H3,(H,19,24)(H,21,25)/p-1