5-(azepan-1-ium-1-ylidene)-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazole

Systemtic Name: 5-(azepan-1-ium-1-ylidene)-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazole Openeye Name: 5-(azepan-1-ium-1-ylidene)-2-benzyl-3-(p-tolyl)-1,2,4-thiadiazole CAS Name: 5-(1-azepan-1-iumylidene)-3-(4-methylphenyl)-2-(phenylmethyl)-1,2,4-thiadiazole IUPAC Name: 5-(azepan-1-ium-1-ylidene)-2-benzyl-3-(4-methylphenyl)-1,2,4-thiadiazole Traditional Name: 5-(azepan-1-ium-1-ylidene)-2-benzyl-3-(p-tolyl)-1,2,4-thiadiazole Formula: C22H26N3S+ MolecularWeight: 364.52694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+]3CCCCCC3)SN2CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+]3CCCCCC3)SN2CC4=CC=CC=C4

InChI

InChI=1S/C22H26N3S/c1-18-11-13-20(14-12-18)21-23-22(24-15-7-2-3-8-16-24)26-25(21)17-19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-17H2,1H3/q+1