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

Systemtic Name: N-[1-(1-adamantyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[1-(1-adamantyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[1-(1-adamantyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[1-(1-adamantyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[1-(1-adamantyl)propyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C23H29N5O3S MolecularWeight: 455.57306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)SC5=NN=CN5C)[N+](=O)[O-]

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4)SC5=NN=CN5C)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O3S/c1-3-20(23-10-14-6-15(11-23)8-16(7-14)12-23)25-21(29)17-4-5-19(18(9-17)28(30)31)32-22-26-24-13-27(22)2/h4-5,9,13-16,20H,3,6-8,10-12H2,1-2H3,(H,25,29)