(3-cyclohexyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium

Systemtic Name: (3-cyclohexyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium Openeye Name: (4-allyl-3-cyclohexyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-ammonium CAS Name: (3-cyclohexyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylammonium IUPAC Name: (3-cyclohexyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium Traditional Name: (4-allyl-3-cyclohexyl-5-thioxo-1,2,4-triazol-1-yl)methyl-(4,5-dimethoxy-2-methyl-benzyl)-methyl-ammonium Formula: C23H35N4O2S+ MolecularWeight: 431.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+](C)CN2C(=S)N(C(=N2)C3CCCCC3)CC=C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+](C)CN2C(=S)N(C(=N2)C3CCCCC3)CC=C)OC)OC

InChI

InChI=1S/C23H34N4O2S/c1-6-12-26-22(18-10-8-7-9-11-18)24-27(23(26)30)16-25(3)15-19-14-21(29-5)20(28-4)13-17(19)2/h6,13-14,18H,1,7-12,15-16H2,2-5H3/p+1