2-[4-(2,3-dimethylphenoxy)but-2-ynylsulfanyl]-1-methyl-indole

Systemtic Name: 2-[4-(2,3-dimethylphenoxy)but-2-ynylsulfanyl]-1-methyl-indole Openeye Name: 2-[4-(2,3-dimethylphenoxy)but-2-ynylsulfanyl]-1-methyl-indole CAS Name: 2-[4-(2,3-dimethylphenoxy)but-2-ynylthio]-1-methylindole IUPAC Name: 2-[4-(2,3-dimethylphenoxy)but-2-ynylsulfanyl]-1-methylindole Traditional Name: 2-[4-(2,3-dimethylphenoxy)but-2-ynylthio]-1-methyl-indole Formula: C21H21NOS MolecularWeight: 335.46254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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