6-[[(5-nitrofuran-2-yl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide

Systemtic Name: 6-[[(5-nitrofuran-2-yl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Openeye Name: 6-[[(5-nitro-2-furyl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide CAS Name: 6-[[(5-nitro-2-furanyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide IUPAC Name: 6-[[(5-nitrofuran-2-yl)methylamino]methyl]-3-phenylsulfanyl-1H-indole-2-carboxamide Traditional Name: 6-[[(5-nitro-2-furyl)methylamino]methyl]-3-(phenylthio)-1H-indole-2-carboxamide Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC=C(O4)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(NC3=C2C=CC(=C3)CNCC4=CC=C(O4)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C21H18N4O4S/c22-21(26)19-20(30-15-4-2-1-3-5-15)16-8-6-13(10-17(16)24-19)11-23-12-14-7-9-18(29-14)25(27)28/h1-10,23-24H,11-12H2,(H2,22,26)