[4-(2-azanyl-2-oxidanylidene-ethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [4-(2-amino-2-oxoethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [4-(2-amino-2-keto-ethyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-(4-isopropylbenzyl)-methyl-ammonium Formula: C20H26N5OS2+ MolecularWeight: 416.58334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CS3)CC(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3=CC=CS3)CC(=O)N

InChI

InChI=1S/C20H25N5OS2/c1-14(2)16-8-6-15(7-9-16)11-23(3)13-25-20(27)24(12-18(21)26)19(22-25)17-5-4-10-28-17/h4-10,14H,11-13H2,1-3H3,(H2,21,26)/p+1