3-[3-[(E)-hex-2-enyl]phenyl]-1-methyl-5-(3-propylphenyl)pyridine-4-thione

Systemtic Name: 3-[3-[(E)-hex-2-enyl]phenyl]-1-methyl-5-(3-propylphenyl)pyridine-4-thione Openeye Name: 3-[3-[(E)-hex-2-enyl]phenyl]-1-methyl-5-(3-propylphenyl)pyridine-4-thione CAS Name: 3-[3-[(E)-hex-2-enyl]phenyl]-1-methyl-5-(3-propylphenyl)-4-pyridinethione IUPAC Name: 3-[3-[(E)-hex-2-enyl]phenyl]-1-methyl-5-(3-propylphenyl)pyridine-4-thione Traditional Name: 3-[3-[(E)-hex-2-enyl]phenyl]-1-methyl-5-(3-propylphenyl)pyridine-4-thione Formula: C27H31NS MolecularWeight: 401.60674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCC1=CC=CC(=C1)C2=CN(C=C(C2=S)C3=CC(=CC=C3)CCC)C

Isomeric SMILES

CCC/C=C/CC1=CC=CC(=C1)C2=CN(C=C(C2=S)C3=CC(=CC=C3)CCC)C

InChI

InChI=1S/C27H31NS/c1-4-6-7-8-12-22-14-10-16-24(18-22)26-20-28(3)19-25(27(26)29)23-15-9-13-21(17-23)11-5-2/h7-10,13-20H,4-6,11-12H2,1-3H3/b8-7+