3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanenitrile

Systemtic Name: 3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanenitrile Openeye Name: 3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-thioxo-1H-1,2,4-triazol-4-ium-2-yl]propanenitrile CAS Name: 3-[5-[2-(2-methyl-1-benzimidazolyl)ethyl]-4-phenyl-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanenitrile IUPAC Name: 3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-sulfanylidene-1H-1,2,4-triazol-4-ium-2-yl]propanenitrile Traditional Name: 3-[5-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-phenyl-3-thioxo-1H-1,2,4-triazol-4-ium-2-yl]propionitrile Formula: C21H21N6S+ MolecularWeight: 389.49664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC3=[N+](C(=S)N(N3)CCC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC3=[N+](C(=S)N(N3)CCC#N)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6S/c1-16-23-18-10-5-6-11-19(18)25(16)15-12-20-24-26(14-7-13-22)21(28)27(20)17-8-3-2-4-9-17/h2-6,8-11H,7,12,14-15H2,1H3/p+1