N-(3-methoxyphenyl)-2-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide Formula: C21H21N5O4S MolecularWeight: 439.48754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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