N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[2-(furan-2-yl)-2-piperidin-1-yl-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[2-(2-furanyl)-2-(1-piperidinyl)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(2-furyl)-2-piperidino-ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC(C3=CC=CO3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O4S/c1-25-14-23-24-21(25)32-19-8-7-15(12-16(19)27(29)30)20(28)22-13-17(18-6-5-11-31-18)26-9-3-2-4-10-26/h5-8,11-12,14,17H,2-4,9-10,13H2,1H3,(H,22,28)