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

Systemtic Name: N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[5-(o-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[(2-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-[(2-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[(2-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C17H14N4O3S2 MolecularWeight: 386.44806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O3S2/c1-11-4-2-3-5-13(11)10-25-17-20-19-16(26-17)18-15(22)12-6-8-14(9-7-12)21(23)24/h2-9H,10H2,1H3,(H,18,19,22)