2-[4-(2,5-dimethylphenoxy)but-2-ynylsulfanyl]-1-methyl-indole

Systemtic Name: 2-[4-(2,5-dimethylphenoxy)but-2-ynylsulfanyl]-1-methyl-indole Openeye Name: 2-[4-(2,5-dimethylphenoxy)but-2-ynylsulfanyl]-1-methyl-indole CAS Name: 2-[4-(2,5-dimethylphenoxy)but-2-ynylthio]-1-methylindole IUPAC Name: 2-[4-(2,5-dimethylphenoxy)but-2-ynylsulfanyl]-1-methylindole Traditional Name: 2-[4-(2,5-dimethylphenoxy)but-2-ynylthio]-1-methyl-indole Formula: C21H21NOS MolecularWeight: 335.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC#CCSC2=CC3=CC=CC=C3N2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC#CCSC2=CC3=CC=CC=C3N2C

InChI

InChI=1S/C21H21NOS/c1-16-10-11-17(2)20(14-16)23-12-6-7-13-24-21-15-18-8-4-5-9-19(18)22(21)3/h4-5,8-11,14-15H,12-13H2,1-3H3