methyl-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: [4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[[4-(phenylmethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: (4-benzyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [4-benzyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thenyl)ammonium Formula: C21H22N5S2+ MolecularWeight: 408.56288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CSC=C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5S2/c1-24(13-18-9-12-28-15-18)16-26-21(27)25(14-17-5-3-2-4-6-17)20(23-26)19-7-10-22-11-8-19/h2-12,15H,13-14,16H2,1H3/p+1