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

Systemtic Name: [4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [4-cyclohexyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [4-cyclohexyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [4-cyclohexyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-methyl-(3-thenyl)ammonium Formula: C20H27N4S3+ MolecularWeight: 419.65018

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CSC=C1)CN2C(=S)N(C(=N2)CC3=CC=CS3)C4CCCCC4

InChI

InChI=1S/C20H26N4S3/c1-22(13-16-9-11-26-14-16)15-23-20(25)24(17-6-3-2-4-7-17)19(21-23)12-18-8-5-10-27-18/h5,8-11,14,17H,2-4,6-7,12-13,15H2,1H3/p+1