4-(methylamino)-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 4-(methylamino)-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-(methylamino)-3-nitro-benzamide CAS Name: 4-(methylamino)-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-(methylamino)-3-nitro-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-(methylamino)-3-nitro-benzamide Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3S/c1-7(2)12-16-17-13(22-12)15-11(19)8-4-5-9(14-3)10(6-8)18(20)21/h4-7,14H,1-3H3,(H,15,17,19)