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

Systemtic Name: 2-methyl-N-[1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[1-[4-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-2-methyl-benzamide CAS Name: 2-methyl-N-[1-[5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 2-methyl-N-[1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[1-[4-allyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]ethyl]-2-methyl-benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c1-4-13-26-20(16(3)23-21(28)19-8-6-5-7-15(19)2)24-25-22(26)31-14-17-9-11-18(12-10-17)27(29)30/h4-12,16H,1,13-14H2,2-3H3,(H,23,28)