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

Systemtic Name: [2-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [2-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [2-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [2-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [2-[5-(4-cyclohexylphenyl)-1,3,4-thiadiazol-2-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C27H25N5O2S MolecularWeight: 483.5847

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=NN=C(S3)N4[NH+](C5=CC=CC=C5N4C(=O)C6=CC=CC=C6)[O-]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=NN=C(S3)N4[NH+](C5=CC=CC=C5N4C(=O)C6=CC=CC=C6)[O-]

InChI

InChI=1S/C27H25N5O2S/c33-26(22-11-5-2-6-12-22)30-23-13-7-8-14-24(23)32(34)31(30)27-29-28-25(35-27)21-17-15-20(16-18-21)19-9-3-1-4-10-19/h2,5-8,11-19,32H,1,3-4,9-10H2