4-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-nitro-benzamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3S/c1-7-16-17-13(22-7)15-12(19)8-2-5-10(14-9-3-4-9)11(6-8)18(20)21/h2,5-6,9,14H,3-4H2,1H3,(H,15,17,19)