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

Systemtic Name: [3-oxidanidyl-2-[5-(4-pentylcyclohexyl)-1,3,4-thiadiazol-2-yl]-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [3-oxido-2-[5-(4-pentylcyclohexyl)-1,3,4-thiadiazol-2-yl]-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [3-oxido-2-[5-(4-pentylcyclohexyl)-1,3,4-thiadiazol-2-yl]-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [3-oxido-2-[5-(4-pentylcyclohexyl)-1,3,4-thiadiazol-2-yl]-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [2-[5-(4-amylcyclohexyl)-1,3,4-thiadiazol-2-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=NN=C(S2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCCCCC1CCC(CC1)C2=NN=C(S2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C26H31N5O2S/c1-2-3-5-10-19-15-17-20(18-16-19)24-27-28-26(34-24)30-29(25(32)21-11-6-4-7-12-21)22-13-8-9-14-23(22)31(30)33/h4,6-9,11-14,19-20,31H,2-3,5,10,15-18H2,1H3