4-(cyclopropylamino)-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-(cyclopropylamino)-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-(cyclopropylamino)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-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-(cyclopropylamino)-3-nitro-benzamide Formula: C19H19N7O3S2 MolecularWeight: 457.52926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=NNC(=S)N4CC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])C4=NNC(=S)N4CC=C

InChI

InChI=1S/C19H19N7O3S2/c1-3-8-25-16(23-24-19(25)30)15-10(2)20-18(31-15)22-17(27)11-4-7-13(21-12-5-6-12)14(9-11)26(28)29/h3-4,7,9,12,21H,1,5-6,8H2,2H3,(H,24,30)(H,20,22,27)