3-nitro-4-[2-oxidanylidene-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C14H15N5O4S2 MolecularWeight: 381.43

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O4S2/c1-7(2)13-17-18-14(25-13)16-11(20)6-24-10-4-3-8(12(15)21)5-9(10)19(22)23/h3-5,7H,6H2,1-2H3,(H2,15,21)(H,16,18,20)