phenyl-[1-[(5-phenylazanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: phenyl-[1-[(5-phenylazanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [1-[(5-anilino-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[(5-anilino-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[(5-anilino-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[(5-anilino-2-thioxo-1,3,4-thiadiazol-3-yl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C21H23N4OS2+ MolecularWeight: 411.56352

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=S)SC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC=CC=C2)CN3C(=S)SC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS2/c26-19(16-7-3-1-4-8-16)17-11-13-24(14-12-17)15-25-21(27)28-20(23-25)22-18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H,22,23)/p+1