5-(1,4-diazepan-4-ium-1-yl)-3-phenyl-1,2,4-thiadiazole

Systemtic Name: 5-(1,4-diazepan-4-ium-1-yl)-3-phenyl-1,2,4-thiadiazole Openeye Name: 5-(1,4-diazepan-4-ium-1-yl)-3-phenyl-1,2,4-thiadiazole CAS Name: 5-(1,4-diazepan-4-ium-1-yl)-3-phenyl-1,2,4-thiadiazole IUPAC Name: 5-(1,4-diazepan-4-ium-1-yl)-3-phenyl-1,2,4-thiadiazole Traditional Name: 5-(1,4-diazepan-4-ium-1-yl)-3-phenyl-1,2,4-thiadiazole Formula: C13H17N4S+ MolecularWeight: 261.36588

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=NC(=NS2)C3=CC=CC=C3

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=NC(=NS2)C3=CC=CC=C3

InChI

InChI=1S/C13H16N4S/c1-2-5-11(6-3-1)12-15-13(18-16-12)17-9-4-7-14-8-10-17/h1-3,5-6,14H,4,7-10H2/p+1