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

Systemtic Name: [4-(3-azanyl-3-oxidanylidene-propyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-[(5-bromanylthiophen-2-yl)methyl]-ethyl-azanium Openeye Name: [4-(3-amino-3-oxo-propyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-bromo-2-thienyl)methyl]-ethyl-ammonium CAS Name: [4-(3-amino-3-oxopropyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-[(5-bromo-2-thiophenyl)methyl]-ethylammonium IUPAC Name: [4-(3-amino-3-oxopropyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-[(5-bromothiophen-2-yl)methyl]-ethylazanium Traditional Name: [4-(3-amino-3-keto-propyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-bromo-2-thienyl)methyl]-ethyl-ammonium Formula: C17H21BrN5OS3+ MolecularWeight: 487.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CN2C(=S)N(C(=N2)C3=CC=CS3)CCC(=O)N

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CN2C(=S)N(C(=N2)C3=CC=CS3)CCC(=O)N

InChI

InChI=1S/C17H20BrN5OS3/c1-2-21(10-12-5-6-14(18)27-12)11-23-17(25)22(8-7-15(19)24)16(20-23)13-4-3-9-26-13/h3-6,9H,2,7-8,10-11H2,1H3,(H2,19,24)/p+1