3-methyl-N-[2-methyl-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide

Systemtic Name: 3-methyl-N-[2-methyl-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide Openeye Name: N-[1-[4-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-methyl-propyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[2-methyl-1-[5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide IUPAC Name: 3-methyl-N-[2-methyl-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]benzamide Traditional Name: N-[1-[4-allyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-2-methyl-propyl]-3-methyl-benzamide Formula: C24H27N5O3S MolecularWeight: 465.56788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C24H27N5O3S/c1-5-13-28-22(21(16(2)3)25-23(30)19-8-6-7-17(4)14-19)26-27-24(28)33-15-18-9-11-20(12-10-18)29(31)32/h5-12,14,16,21H,1,13,15H2,2-4H3,(H,25,30)