N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-1-methylsulfonyl-indoline-5-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-1-mesyl-2-methyl-indoline-5-carboxamide Formula: C21H19N5O3S3 MolecularWeight: 485.60226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19N5O3S3/c1-13-9-17-10-16(7-8-18(17)26(13)32(2,28)29)19(27)23-20-24-25-21(31-20)30-12-15-5-3-14(11-22)4-6-15/h3-8,10,13H,9,12H2,1-2H3,(H,23,24,27)