N-(3-methyl-4-nitro-phenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-methyl-4-nitro-phenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methyl-4-nitro-phenyl)acetamide CAS Name: N-(3-methyl-4-nitrophenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-methyl-4-nitrophenyl)-2-[[5-(phenoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(3-methyl-4-nitro-phenyl)acetamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4S/c1-3-11-25-19(13-30-17-7-5-4-6-8-17)23-24-21(25)31-14-20(27)22-16-9-10-18(26(28)29)15(2)12-16/h3-10,12H,1,11,13-14H2,2H3,(H,22,27)