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

Systemtic Name: 4-chloranyl-N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-chloro-N-[5-(m-tolylmethylsulfonyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-chloro-N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-chloro-N-[5-[(3-methylphenyl)methylsulfonyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-chloro-N-[5-(3-methylbenzyl)sulfonyl-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H14ClN3O3S2/c1-11-3-2-4-12(9-11)10-26(23,24)17-21-20-16(25-17)19-15(22)13-5-7-14(18)8-6-13/h2-9H,10H2,1H3,(H,19,20,22)