1-[1-methyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]piperazine

Systemtic Name: 1-[1-methyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]piperazine Openeye Name: 1-(1-methyl-4-tritylsulfanyl-pyrrolidin-2-yl)piperazine CAS Name: 1-[1-methyl-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]piperazine IUPAC Name: 1-(1-methyl-4-tritylsulfanylpyrrolidin-2-yl)piperazine Traditional Name: 1-[1-methyl-4-(tritylthio)pyrrolidin-2-yl]piperazine Formula: C28H33N3S MolecularWeight: 443.64672

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(CC1N2CCNCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CN1CC(CC1N2CCNCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N3S/c1-30-22-26(21-27(30)31-19-17-29-18-20-31)32-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,26-27,29H,17-22H2,1H3