2-(5-methyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid

Systemtic Name: 2-(5-methyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid Openeye Name: 2-(5-methyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid CAS Name: 2-(5-methyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid IUPAC Name: 2-(5-methyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid Traditional Name: 2-(5-methyl-2-phenyl-1H-indol-3-yl)thioacetic acid Formula: C17H15NOS MolecularWeight: 281.3721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CC(=O)S)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CC(=O)S)C3=CC=CC=C3

InChI

InChI=1S/C17H15NOS/c1-11-7-8-15-13(9-11)14(10-16(19)20)17(18-15)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,19,20)