[3-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclohexyl-methyl-azanium

Systemtic Name: [3-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclohexyl-methyl-azanium Openeye Name: [3-(3-chlorobenzothiophen-2-yl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclohexyl-methyl-ammonium CAS Name: [3-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclohexyl-methylammonium IUPAC Name: [3-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-cyclohexyl-methylazanium Traditional Name: [3-(3-chlorobenzothiophen-2-yl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-cyclohexyl-methyl-ammonium Formula: C24H26ClN4S2+ MolecularWeight: 470.07304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CN1C(=S)N(C(=N1)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

C[NH+](CN1C(=S)N(C(=N1)C2=C(C3=CC=CC=C3S2)Cl)C4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C24H25ClN4S2/c1-27(17-10-4-2-5-11-17)16-28-24(30)29(18-12-6-3-7-13-18)23(26-28)22-21(25)19-14-8-9-15-20(19)31-22/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3/p+1