2-adamantyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium

Systemtic Name: 2-adamantyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: 2-adamantyl-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium CAS Name: 2-adamantyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: 2-adamantyl-[(4-cyclopropyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: 2-adamantyl-[[4-cyclopropyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-methyl-ammonium Formula: C21H29N4S2+ MolecularWeight: 401.61176

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2=CC=CS2)C3CC3)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=CC=CS2)C3CC3)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C21H28N4S2/c1-23(19-15-8-13-7-14(10-15)11-16(19)9-13)12-24-21(26)25(17-4-5-17)20(22-24)18-3-2-6-27-18/h2-3,6,13-17,19H,4-5,7-12H2,1H3/p+1