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

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: [4-(2-amino-2-oxo-ethyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: [4-(2-amino-2-oxoethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: [4-(2-amino-2-oxoethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: [4-(2-amino-2-keto-ethyl)-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C23H26N5OS3+ MolecularWeight: 484.68044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC(=O)N

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CN3C(=S)N(C(=N3)C4=CC=CS4)CC(=O)N

InChI

InChI=1S/C23H25N5OS3/c1-17-9-10-19(32-17)14-26(12-11-18-6-3-2-4-7-18)16-28-23(30)27(15-21(24)29)22(25-28)20-8-5-13-31-20/h2-10,13H,11-12,14-16H2,1H3,(H2,24,29)/p+1