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

Systemtic Name: methyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: [4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: methyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: (4-benzyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thenyl)ammonium Formula: C20H21N4S3+ MolecularWeight: 413.60254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CSC=C1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4S3/c1-22(12-17-9-11-26-14-17)15-24-20(25)23(13-16-6-3-2-4-7-16)19(21-24)18-8-5-10-27-18/h2-11,14H,12-13,15H2,1H3/p+1