(2R)-N-cyclopropyl-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: (2R)-N-cyclopropyl-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: (2R)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-N-cyclopropyl-2-phenyl-2-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: (2R)-N-cyclopropyl-2-phenyl-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: (2R)-2-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)NC3CC3)C4=CN=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1S[C@H](C2=CC=CC=C2)C(=O)NC3CC3)C4=CN=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-2-13-26-19(16-9-6-12-22-14-16)24-25-21(26)28-18(15-7-4-3-5-8-15)20(27)23-17-10-11-17/h2-9,12,14,17-18H,1,10-11,13H2,(H,23,27)/t18-/m1/s1