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

Systemtic Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-nitro-benzamide CAS Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-3-nitro-benzamide Formula: C16H14N6O3S2 MolecularWeight: 402.45076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O3S2/c1-3-7-21-13(19-20-16(21)26)12-9(2)17-15(27-12)18-14(23)10-5-4-6-11(8-10)22(24)25/h3-6,8H,1,7H2,2H3,(H,20,26)(H,17,18,23)