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

Systemtic Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [4-cyclopropyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: (4-cyclopropyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [4-cyclopropyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4CC4)OC

InChI

InChI=1S/C22H27N5O2S/c1-4-29-19-10-7-16(12-20(19)28-3)14-25(2)15-26-22(30)27(18-8-9-18)21(24-26)17-6-5-11-23-13-17/h5-7,10-13,18H,4,8-9,14-15H2,1-3H3/p+1