N-[(2S)-1-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-3-methylsulfanyl-propyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[(1,3-diphenyl-4-pyrazolyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[(1,3-diphenylpyrazol-4-yl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-[(1,3-diphenylpyrazol-4-yl)methylcarbamoyl]-3-(methylthio)propyl]-2-furamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H26N4O3S/c1-34-16-14-22(28-26(32)23-13-8-15-33-23)25(31)27-17-20-18-30(21-11-6-3-7-12-21)29-24(20)19-9-4-2-5-10-19/h2-13,15,18,22H,14,16-17H2,1H3,(H,27,31)(H,28,32)/t22-/m0/s1