4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-yl-3-nitro-benzamide

Systemtic Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-yl-3-nitro-benzamide Openeye Name: 4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-naphthyl)-3-nitro-benzamide CAS Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-N-(2-naphthalenyl)-3-nitrobenzamide IUPAC Name: 4-[(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-2-yl-3-nitrobenzamide Traditional Name: 4-[(4-cyclopropyl-5-isopropyl-1,2,4-triazol-3-yl)thio]-N-(2-naphthyl)-3-nitro-benzamide Formula: C25H23N5O3S MolecularWeight: 473.54682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C2CC2)SC3=C(C=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O3S/c1-15(2)23-27-28-25(29(23)20-10-11-20)34-22-12-8-18(14-21(22)30(32)33)24(31)26-19-9-7-16-5-3-4-6-17(16)13-19/h3-9,12-15,20H,10-11H2,1-2H3,(H,26,31)