ethyl 5-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-indole-2-carboxylate Openeye Name: ethyl 5-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-indole-2-carboxylate CAS Name: 5-[[[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-indole-2-carboxylate Traditional Name: 5-[[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]carbamoyl]-1H-indole-2-carboxylic acid ethyl ester Formula: C22H17N5O3S2 MolecularWeight: 463.53208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H17N5O3S2/c1-2-30-20(29)18-10-16-9-15(7-8-17(16)24-18)19(28)25-21-26-27-22(32-21)31-12-14-5-3-13(11-23)4-6-14/h3-10,24H,2,12H2,1H3,(H,25,26,28)