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

Systemtic Name: 4-methyl-N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-methyl-N-[5-(m-tolylmethylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-methyl-N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-methyl-N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-methyl-N-[5-(3-methylbenzyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C18H17N3O3S2/c1-12-6-8-15(9-7-12)16(22)19-17-20-21-18(25-17)26(23,24)11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3,(H,19,20,22)