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

Systemtic Name: N-(1-cyclopropylcarbonylpiperidin-4-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[1-(cyclopropanecarbonyl)-4-piperidyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H22N6O4S MolecularWeight: 430.48078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O4S/c1-23-11-20-22-19(23)30-16-5-4-13(10-15(16)25(28)29)17(26)21-14-6-8-24(9-7-14)18(27)12-2-3-12/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,21,26)