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

Systemtic Name: [3-(3-chloranyl-1-benzothiophen-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [3-(3-chlorobenzothiophen-2-yl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-diisobutyl-ammonium CAS Name: [3-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [3-(3-chloro-1-benzothiophen-2-yl)-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [3-(3-chlorobenzothiophen-2-yl)-4-phenyl-5-thioxo-1,2,4-triazol-1-yl]methyl-diisobutyl-ammonium Formula: C25H30ClN4S2+ MolecularWeight: 486.1155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN4S2/c1-17(2)14-28(15-18(3)4)16-29-25(31)30(19-10-6-5-7-11-19)24(27-29)23-22(26)20-12-8-9-13-21(20)32-23/h5-13,17-18H,14-16H2,1-4H3/p+1