2,6-dibutyl-4-phenyl-3aH-pentalene-1-thione

Systemtic Name: 2,6-dibutyl-4-phenyl-3aH-pentalene-1-thione Openeye Name: 2,6-dibutyl-4-phenyl-3aH-pentalene-1-thione CAS Name: 2,6-dibutyl-4-phenyl-3aH-pentalene-1-thione IUPAC Name: 2,6-dibutyl-4-phenyl-3aH-pentalene-1-thione Traditional Name: 2,6-dibutyl-4-phenyl-3aH-pentalene-1-thione Formula: C22H26S MolecularWeight: 322.50684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2C(=CC(=C2C1=S)CCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC2C(=CC(=C2C1=S)CCCC)C3=CC=CC=C3

InChI

InChI=1S/C22H26S/c1-3-5-10-17-14-19(16-12-8-7-9-13-16)20-15-18(11-6-4-2)22(23)21(17)20/h7-9,12-15,20H,3-6,10-11H2,1-2H3