N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2-(3-nitrophenoxy)ethanamide

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2-(3-nitrophenoxy)ethanamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-(3-nitrophenoxy)acetamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-2-(3-nitrophenoxy)acetamide IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-2-(3-nitrophenoxy)acetamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-(3-nitrophenoxy)acetamide Formula: C17H16N6O4S2 MolecularWeight: 432.47674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C3=NNC(=S)N3CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)[N+](=O)[O-])C3=NNC(=S)N3CC=C

InChI

InChI=1S/C17H16N6O4S2/c1-3-7-22-15(20-21-17(22)28)14-10(2)18-16(29-14)19-13(24)9-27-12-6-4-5-11(8-12)23(25)26/h3-6,8H,1,7,9H2,2H3,(H,21,28)(H,18,19,24)