N-(4-methoxyphenyl)-2-[5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: 2-[4-allyl-5-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide CAS Name: N-(4-methoxyphenyl)-2-[5-[[2-(4-nitroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]acetamide Traditional Name: 2-[4-allyl-5-[[2-keto-2-(4-nitroanilino)ethyl]thio]-1,2,4-triazol-3-yl]-N-(4-methoxyphenyl)acetamide Formula: C22H22N6O5S MolecularWeight: 482.51228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O5S/c1-3-12-27-19(13-20(29)23-16-6-10-18(33-2)11-7-16)25-26-22(27)34-14-21(30)24-15-4-8-17(9-5-15)28(31)32/h3-11H,1,12-14H2,2H3,(H,23,29)(H,24,30)