(E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1-methylpyrazol-4-yl)acrylamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=CC(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

Isomeric SMILES

CN1C=C(C=N1)/C=C/C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C18H21N5OS/c1-23-12-13(11-19-23)7-8-17(24)20-16(9-10-25-2)18-21-14-5-3-4-6-15(14)22-18/h3-8,11-12,16H,9-10H2,1-2H3,(H,20,24)(H,21,22)/b8-7+