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

Systemtic Name: [3-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: [3-(3-amino-3-oxo-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: [3-(3-amino-3-oxopropyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: [3-(3-amino-3-keto-propyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C21H28N5OS2+ MolecularWeight: 430.60992

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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)CCC(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5OS2/c1-16-8-9-18(29-16)14-25(13-12-17-6-4-3-5-7-17)15-26-21(28)24(2)20(23-26)11-10-19(22)27/h3-9H,10-15H2,1-2H3,(H2,22,27)/p+1