4-methyl-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: 4-methyl-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]-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-methyl-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]-4-methyl-3-nitro-benzamide Formula: C17H16N6O3S2 MolecularWeight: 416.47734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O3S2/c1-4-7-22-14(20-21-17(22)27)13-10(3)18-16(28-13)19-15(24)11-6-5-9(2)12(8-11)23(25)26/h4-6,8H,1,7H2,2-3H3,(H,21,27)(H,18,19,24)