3,4-bis(butylsulfanyl)-2,5-dimethyl-1-phenyl-pyrrole

Systemtic Name: 3,4-bis(butylsulfanyl)-2,5-dimethyl-1-phenyl-pyrrole Openeye Name: 3,4-bis(butylsulfanyl)-2,5-dimethyl-1-phenyl-pyrrole CAS Name: 3,4-bis(butylthio)-2,5-dimethyl-1-phenylpyrrole IUPAC Name: 3,4-bis(butylsulfanyl)-2,5-dimethyl-1-phenylpyrrole Traditional Name: 3,4-bis(butylthio)-2,5-dimethyl-1-phenyl-pyrrole Formula: C20H29NS2 MolecularWeight: 347.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(N(C(=C1SCCCC)C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCSC1=C(N(C(=C1SCCCC)C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H29NS2/c1-5-7-14-22-19-16(3)21(18-12-10-9-11-13-18)17(4)20(19)23-15-8-6-2/h9-13H,5-8,14-15H2,1-4H3