(2S)-N-(4-cyanophenyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(4-cyanophenyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(4-cyanophenyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(4-cyanophenyl)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2S)-N-(4-cyanophenyl)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(4-cyanophenyl)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C20H18N6OS/c1-13(19(27)23-16-6-4-14(11-21)5-7-16)28-20-25-24-18(26(20)17-8-9-17)15-3-2-10-22-12-15/h2-7,10,12-13,17H,8-9H2,1H3,(H,23,27)/t13-/m0/s1