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

Systemtic Name: 3-chloranyl-4-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-nitro-benzamide CAS Name: 3-chloro-4-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-nitrobenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-nitro-benzamide Formula: C16H11ClN4O3S MolecularWeight: 374.80154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H11ClN4O3S/c17-12-9-11(6-7-13(12)21(23)24)15(22)18-16-20-19-14(25-16)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,18,20,22)