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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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