cyclopentyl-cyclopropyl-[(3-morpholin-4-yl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: cyclopentyl-cyclopropyl-[(3-morpholin-4-yl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: cyclopentyl-cyclopropyl-[(3-morpholino-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: cyclopentyl-cyclopropyl-[[3-(4-morpholinyl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: cyclopentyl-cyclopropyl-[(3-morpholin-4-yl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: cyclopentyl-cyclopropyl-[(3-morpholino-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C21H30N5OS+ MolecularWeight: 400.5608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+](CN2C(=S)N(C(=N2)N3CCOCC3)C4=CC=CC=C4)C5CC5

Isomeric SMILES

C1CCC(C1)[NH+](CN2C(=S)N(C(=N2)N3CCOCC3)C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C21H29N5OS/c28-21-25(16-24(18-10-11-18)17-6-4-5-7-17)22-20(23-12-14-27-15-13-23)26(21)19-8-2-1-3-9-19/h1-3,8-9,17-18H,4-7,10-16H2/p+1