[3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [3-(3-amino-3-oxo-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C18H28N5O3S+ MolecularWeight: 394.51162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3S/c1-5-26-14-7-6-13(10-15(14)25-4)11-21(2)12-23-18(27)22(3)17(20-23)9-8-16(19)24/h6-7,10H,5,8-9,11-12H2,1-4H3,(H2,19,24)/p+1