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

Systemtic Name: 4-methyl-3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitro-benzamide CAS Name: 4-methyl-3-nitro-N-[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide Traditional Name: N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitro-benzamide Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O3S/c1-11-7-8-13(10-14(11)21(23)24)16(22)18-17-20-19-15(25-17)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,20,22)