4-(methylamino)-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-(methylamino)-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-(methylamino)-3-nitro-benzamide CAS Name: 4-(methylamino)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(methylamino)-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-(methylamino)-3-nitro-benzamide Formula: C17H17N7O3S2 MolecularWeight: 431.49198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N7O3S2/c1-4-7-23-14(21-22-17(23)28)13-9(2)19-16(29-13)20-15(25)10-5-6-11(18-3)12(8-10)24(26)27/h4-6,8,18H,1,7H2,2-3H3,(H,22,28)(H,19,20,25)