1-[(1S,2R)-2-(benzotriazol-1-yl)-1,2-bis(phenylmethylsulfanyl)ethyl]benzotriazole

Systemtic Name: 1-[(1S,2R)-2-(benzotriazol-1-yl)-1,2-bis(phenylmethylsulfanyl)ethyl]benzotriazole Openeye Name: 1-[(1S,2R)-2-(benzotriazol-1-yl)-1,2-bis(benzylsulfanyl)ethyl]benzotriazole CAS Name: 1-[(1S,2R)-2-(1-benzotriazolyl)-1,2-bis(phenylmethylthio)ethyl]benzotriazole IUPAC Name: 1-[(1S,2R)-2-(benzotriazol-1-yl)-1,2-bis(benzylsulfanyl)ethyl]benzotriazole Traditional Name: 1-[(1S,2R)-2-(benzotriazol-1-yl)-1,2-bis(benzylthio)ethyl]benzotriazole Formula: C28H24N6S2 MolecularWeight: 508.66036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(C(N2C3=CC=CC=C3N=N2)SCC4=CC=CC=C4)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)CS[C@H]([C@@H](N2C3=CC=CC=C3N=N2)SCC4=CC=CC=C4)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H24N6S2/c1-3-11-21(12-4-1)19-35-27(33-25-17-9-7-15-23(25)29-31-33)28(36-20-22-13-5-2-6-14-22)34-26-18-10-8-16-24(26)30-32-34/h1-18,27-28H,19-20H2/t27-,28+