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

Systemtic Name: (4-ethoxy-3-methoxy-phenyl)methyl-methyl-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]azanium Openeye Name: (4-ethoxy-3-methoxy-phenyl)methyl-[(5-isopropyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-methyl-ammonium CAS Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]ammonium IUPAC Name: (4-ethoxy-3-methoxyphenyl)methyl-methyl-[(5-propan-2-yl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]azanium Traditional Name: (4-ethoxy-3-methoxy-benzyl)-[(5-isopropyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]-methyl-ammonium Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N=C(N2)C(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)CN2C(=S)N=C(N2)C(C)C)OC

InChI

InChI=1S/C17H26N4O2S/c1-6-23-14-8-7-13(9-15(14)22-5)10-20(4)11-21-17(24)18-16(19-21)12(2)3/h7-9,12H,6,10-11H2,1-5H3,(H,18,19,24)/p+1