1-[[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(4-bromophenyl)adamantane

Systemtic Name: 1-[[(1-azanyl-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(4-bromophenyl)adamantane Openeye Name: 1-[[(1-amino-2-sulfosulfanyl-ethylidene)amino]methyl]-3-(4-bromophenyl)adamantane CAS Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-(4-bromophenyl)adamantane IUPAC Name: 1-[[(1-amino-2-sulfosulfanylethylidene)amino]methyl]-3-(4-bromophenyl)adamantane Traditional Name: 1-[[[1-amino-2-(sulfothio)ethylidene]amino]methyl]-3-(4-bromophenyl)adamantane Formula: C19H25BrN2O3S2 MolecularWeight: 473.4474

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Br)CN=C(CSS(=O)(=O)O)N

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)Br)CN=C(CSS(=O)(=O)O)N

InChI

InChI=1S/C19H25BrN2O3S2/c20-16-3-1-15(2-4-16)19-8-13-5-14(9-19)7-18(6-13,11-19)12-22-17(21)10-26-27(23,24)25/h1-4,13-14H,5-12H2,(H2,21,22)(H,23,24,25)