N-(1-azanyl-3-phenyl-propan-2-yl)-4-bromanyl-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

Systemtic Name: N-(1-azanyl-3-phenyl-propan-2-yl)-4-bromanyl-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide Openeye Name: N-[1-(aminomethyl)-2-phenyl-ethyl]-4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide CAS Name: N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(2-methyl-3-pyrazolyl)-2-thiophenecarboxamide IUPAC Name: N-(1-amino-3-phenylpropan-2-yl)-4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide Traditional Name: N-[1-(aminomethyl)-2-phenyl-ethyl]-4-bromo-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide Formula: C18H19BrN4OS MolecularWeight: 419.33866

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C2=C(C=C(S2)C(=O)NC(CC3=CC=CC=C3)CN)Br

Isomeric SMILES

CN1C(=CC=N1)C2=C(C=C(S2)C(=O)NC(CC3=CC=CC=C3)CN)Br

InChI

InChI=1S/C18H19BrN4OS/c1-23-15(7-8-21-23)17-14(19)10-16(25-17)18(24)22-13(11-20)9-12-5-3-2-4-6-12/h2-8,10,13H,9,11,20H2,1H3,(H,22,24)