4-(dimethylamino)-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-(dimethylamino)-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-(dimethylamino)-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-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-(dimethylamino)-3-nitro-benzamide Formula: C18H19N7O3S2 MolecularWeight: 445.51856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O3S2/c1-5-8-24-15(21-22-18(24)29)14-10(2)19-17(30-14)20-16(26)11-6-7-12(23(3)4)13(9-11)25(27)28/h5-7,9H,1,8H2,2-4H3,(H,22,29)(H,19,20,26)