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

Systemtic Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[5-(4-chlorobenzyl)-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13ClN4O3S/c1-10-2-5-12(9-14(10)22(24)25)16(23)19-17-21-20-15(26-17)8-11-3-6-13(18)7-4-11/h2-7,9H,8H2,1H3,(H,19,21,23)