2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]ethanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(1R)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C17H20N6O2S/c1-17(10-18,12-5-6-12)20-14(24)9-26-16-22-21-15(23(16)19)11-3-7-13(25-2)8-4-11/h3-4,7-8,12H,5-6,9,19H2,1-2H3,(H,20,24)/t17-/m0/s1