N-[5-[1-(4-chloranyl-2-methyl-phenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[1-(4-chloranyl-2-methyl-phenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: N-[5-[1-(4-chloro-2-methyl-phenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: N-[5-[1-(4-chloro-2-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[1-(4-chloro-2-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: N-[5-[1-(4-chloro-2-methyl-phenoxy)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15ClN4O4S/c1-10-8-13(19)6-7-15(10)27-11(2)17-21-22-18(28-17)20-16(24)12-4-3-5-14(9-12)23(25)26/h3-9,11H,1-2H3,(H,20,22,24)