N-(4-bromanyl-3-methyl-phenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(4-pyridylmethylsulfanyl)thiophene-2-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(pyridin-4-ylmethylthio)-2-thiophenecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(4-pyridylmethylthio)thiophene-2-carboxamide Formula: C18H15BrN2OS2 MolecularWeight: 419.3585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)SCC3=CC=NC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CS2)SCC3=CC=NC=C3)Br

InChI

InChI=1S/C18H15BrN2OS2/c1-12-10-14(2-3-15(12)19)21-18(22)17-16(6-9-23-17)24-11-13-4-7-20-8-5-13/h2-10H,11H2,1H3,(H,21,22)