3-(2-methoxycyclopropyl)-1-methyl-5-(3-oct-4-ynylphenyl)pyridine-4-thione

Systemtic Name: 3-(2-methoxycyclopropyl)-1-methyl-5-(3-oct-4-ynylphenyl)pyridine-4-thione Openeye Name: 3-(2-methoxycyclopropyl)-1-methyl-5-(3-oct-4-ynylphenyl)pyridine-4-thione CAS Name: 3-(2-methoxycyclopropyl)-1-methyl-5-(3-oct-4-ynylphenyl)-4-pyridinethione IUPAC Name: 3-(2-methoxycyclopropyl)-1-methyl-5-(3-oct-4-ynylphenyl)pyridine-4-thione Traditional Name: 3-(2-methoxycyclopropyl)-1-methyl-5-(3-oct-4-ynylphenyl)pyridine-4-thione Formula: C24H29NOS MolecularWeight: 379.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCCC1=CC=CC(=C1)C2=CN(C=C(C2=S)C3CC3OC)C

Isomeric SMILES

CCCC#CCCCC1=CC=CC(=C1)C2=CN(C=C(C2=S)C3CC3OC)C

InChI

InChI=1S/C24H29NOS/c1-4-5-6-7-8-9-11-18-12-10-13-19(14-18)21-16-25(2)17-22(24(21)27)20-15-23(20)26-3/h10,12-14,16-17,20,23H,4-5,8-9,11,15H2,1-3H3