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

Systemtic Name: 2-adamantyl-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methyl-azanium Openeye Name: 2-adamantyl-[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium CAS Name: 2-adamantyl-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylammonium IUPAC Name: 2-adamantyl-[(3,4-dimethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-methylazanium Traditional Name: 2-adamantyl-[(3,4-dimethyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-methyl-ammonium Formula: C16H27N4S+ MolecularWeight: 307.47738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)C[NH+](C)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=NN(C(=S)N1C)C[NH+](C)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C16H26N4S/c1-10-17-20(16(21)19(10)3)9-18(2)15-13-5-11-4-12(7-13)8-14(15)6-11/h11-15H,4-9H2,1-3H3/p+1