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

Systemtic Name: 5-(azepan-1-ium-1-ylidene)-2,3-diphenyl-1,2,4-thiadiazole Openeye Name: 5-(azepan-1-ium-1-ylidene)-2,3-diphenyl-1,2,4-thiadiazole CAS Name: 5-(1-azepan-1-iumylidene)-2,3-diphenyl-1,2,4-thiadiazole IUPAC Name: 5-(azepan-1-ium-1-ylidene)-2,3-diphenyl-1,2,4-thiadiazole Traditional Name: 5-(azepan-1-ium-1-ylidene)-2,3-diphenyl-1,2,4-thiadiazole Formula: C20H22N3S+ MolecularWeight: 336.47378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4)CC1

Isomeric SMILES

C1CCC[N+](=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4)CC1

InChI

InChI=1S/C20H22N3S/c1-2-10-16-22(15-9-1)20-21-19(17-11-5-3-6-12-17)23(24-20)18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2/q+1