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

Systemtic Name: cyclopropyl-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium Openeye Name: cyclopropyl-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[[4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[(4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: cyclopropyl-[[4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-p-anisyl-ammonium Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4)C5CC5

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4)C5CC5

InChI

InChI=1S/C22H25N5OS/c1-28-20-10-4-16(5-11-20)14-25(18-6-7-18)15-26-22(29)27(19-8-9-19)21(24-26)17-3-2-12-23-13-17/h2-5,10-13,18-19H,6-9,14-15H2,1H3/p+1