(2R)-N-(1-cyanocyclohexyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(1-cyanocyclohexyl)-2-[(5-phenylazanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide CAS Name: (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide Traditional Name: (2R)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)thio]-N-(1-cyanocyclohexyl)propionamide Formula: C18H21N5OS2 MolecularWeight: 387.52224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)SC2=NN=C(S2)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1(CCCCC1)C#N)SC2=NN=C(S2)NC3=CC=CC=C3

InChI

InChI=1S/C18H21N5OS2/c1-13(15(24)21-18(12-19)10-6-3-7-11-18)25-17-23-22-16(26-17)20-14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,20,22)(H,21,24)/t13-/m1/s1