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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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