ethyl-[(3-phenethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[(3-phenethyl-2-sulfanylidene-benzimidazol-1-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(3-phenethyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium CAS Name: ethyl-[(3-phenethyl-2-sulfanylidene-1-benzimidazolyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(3-phenethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(3-phenethyl-2-thioxo-benzimidazol-1-yl)methyl]ammonium Formula: C25H28N3S+ MolecularWeight: 402.57492

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CN2C3=CC=CC=C3N(C2=S)CCC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CN2C3=CC=CC=C3N(C2=S)CCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3S/c1-2-26(19-22-13-7-4-8-14-22)20-28-24-16-10-9-15-23(24)27(25(28)29)18-17-21-11-5-3-6-12-21/h3-16H,2,17-20H2,1H3/p+1