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

Systemtic Name: 5-(azepan-1-ium-1-ylidene)-3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazole Openeye Name: 5-(azepan-1-ium-1-ylidene)-2-phenyl-3-(p-tolyl)-1,2,4-thiadiazole CAS Name: 5-(1-azepan-1-iumylidene)-3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazole IUPAC Name: 5-(azepan-1-ium-1-ylidene)-3-(4-methylphenyl)-2-phenyl-1,2,4-thiadiazole Traditional Name: 5-(azepan-1-ium-1-ylidene)-2-phenyl-3-(p-tolyl)-1,2,4-thiadiazole Formula: C21H24N3S+ MolecularWeight: 350.50036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=[N+]3CCCCCC3)SN2C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=[N+]3CCCCCC3)SN2C4=CC=CC=C4

InChI

InChI=1S/C21H24N3S/c1-17-11-13-18(14-12-17)20-22-21(23-15-7-2-3-8-16-23)25-24(20)19-9-5-4-6-10-19/h4-6,9-14H,2-3,7-8,15-16H2,1H3/q+1