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

Systemtic Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[[4-prop-2-enyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: cyclopropyl-[(4-methoxyphenyl)methyl]-[(4-prop-2-enyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: [4-allyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclopropyl-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)CC=C)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-3-13-26-21(18-5-4-12-23-14-18)24-27(22(26)29)16-25(19-8-9-19)15-17-6-10-20(28-2)11-7-17/h3-7,10-12,14,19H,1,8-9,13,15-16H2,2H3/p+1