1-[9-(phenylmethyl)thioxanthen-9-yl]benzotriazole

Systemtic Name: 1-[9-(phenylmethyl)thioxanthen-9-yl]benzotriazole Openeye Name: 1-(9-benzylthioxanthen-9-yl)benzotriazole CAS Name: 1-[9-(phenylmethyl)-9-thioxanthenyl]benzotriazole IUPAC Name: 1-(9-benzylthioxanthen-9-yl)benzotriazole Traditional Name: 1-(9-benzylthioxanthen-9-yl)benzotriazole Formula: C26H19N3S MolecularWeight: 405.51416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2(C3=CC=CC=C3SC4=CC=CC=C42)N5C6=CC=CC=C6N=N5

Isomeric SMILES

C1=CC=C(C=C1)CC2(C3=CC=CC=C3SC4=CC=CC=C42)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C26H19N3S/c1-2-10-19(11-3-1)18-26(29-23-15-7-6-14-22(23)27-28-29)20-12-4-8-16-24(20)30-25-17-9-5-13-21(25)26/h1-17H,18H2