3-(3,5-dimethylphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide

Systemtic Name: 3-(3,5-dimethylphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide Openeye Name: 3-(3,5-dimethylphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide CAS Name: 3-[(3,5-dimethylphenyl)thio]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide IUPAC Name: 3-(3,5-dimethylphenyl)sulfanyl-1H-pyrrolo[3,2-b]pyridine-2-carboxamide Traditional Name: 3-[(3,5-dimethylphenyl)thio]-1H-pyrrolo[3,2-b]pyridine-2-carboxamide Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(NC3=C2N=CC=C3)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(NC3=C2N=CC=C3)C(=O)N)C

InChI

InChI=1S/C16H15N3OS/c1-9-6-10(2)8-11(7-9)21-15-13-12(4-3-5-18-13)19-14(15)16(17)20/h3-8,19H,1-2H3,(H2,17,20)