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

Systemtic Name: (4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: [4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: (4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: (4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: [4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C23H26N5S2+ MolecularWeight: 436.61604

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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=NC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5S2/c1-18-8-9-21(30-18)16-27(15-12-19-6-4-3-5-7-19)17-28-23(29)26(2)22(25-28)20-10-13-24-14-11-20/h3-11,13-14H,12,15-17H2,1-2H3/p+1