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

Systemtic Name: 2-chloranyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-chloro-4-nitro-benzamide CAS Name: 2-chloro-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-2-chloro-4-nitro-benzamide Formula: C16H13ClN6O3S2 MolecularWeight: 436.89582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O3S2/c1-3-6-22-13(20-21-16(22)27)12-8(2)18-15(28-12)19-14(24)10-5-4-9(23(25)26)7-11(10)17/h3-5,7H,1,6H2,2H3,(H,21,27)(H,18,19,24)