[2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone

Systemtic Name: [2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [2-[5-(4-hexoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C27H27N5O3S/c1-2-3-4-10-19-35-22-17-15-20(16-18-22)25-28-29-27(36-25)31-30(26(33)21-11-6-5-7-12-21)23-13-8-9-14-24(23)32(31)34/h5-9,11-18,32H,2-4,10,19H2,1H3