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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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