2-(4,7-dimethyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid

Systemtic Name: 2-(4,7-dimethyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid Openeye Name: 2-(4,7-dimethyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid CAS Name: 2-(4,7-dimethyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid IUPAC Name: 2-(4,7-dimethyl-2-phenyl-1H-indol-3-yl)ethanethioic S-acid Traditional Name: 2-(4,7-dimethyl-2-phenyl-1H-indol-3-yl)thioacetic acid Formula: C18H17NOS MolecularWeight: 295.39868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(NC2=C(C=C1)C)C3=CC=CC=C3)CC(=O)S

Isomeric SMILES

CC1=C2C(=C(NC2=C(C=C1)C)C3=CC=CC=C3)CC(=O)S

InChI

InChI=1S/C18H17NOS/c1-11-8-9-12(2)17-16(11)14(10-15(20)21)18(19-17)13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3,(H,20,21)