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

Systemtic Name: 3-[4-(2,3-dimethylphenoxy)but-2-ynylsulfanyl]-1H-indole Openeye Name: 3-[4-(2,3-dimethylphenoxy)but-2-ynylsulfanyl]-1H-indole CAS Name: 3-[4-(2,3-dimethylphenoxy)but-2-ynylthio]-1H-indole IUPAC Name: 3-[4-(2,3-dimethylphenoxy)but-2-ynylsulfanyl]-1H-indole Traditional Name: 3-[4-(2,3-dimethylphenoxy)but-2-ynylthio]-1H-indole Formula: C20H19NOS MolecularWeight: 321.43596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC#CCSC2=CNC3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC#CCSC2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C20H19NOS/c1-15-8-7-11-19(16(15)2)22-12-5-6-13-23-20-14-21-18-10-4-3-9-17(18)20/h3-4,7-11,14,21H,12-13H2,1-2H3