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

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methyl-azanium Openeye Name: [3-(3-amino-3-oxo-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methylammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(4-methoxyphenyl)methyl]-methylazanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-p-anisyl-ammonium Formula: C16H24N5O2S+ MolecularWeight: 350.45906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OC)CCC(=O)N

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+](C)CC2=CC=C(C=C2)OC)CCC(=O)N

InChI

InChI=1S/C16H23N5O2S/c1-19(10-12-4-6-13(23-3)7-5-12)11-21-16(24)20(2)15(18-21)9-8-14(17)22/h4-7H,8-11H2,1-3H3,(H2,17,22)/p+1