3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide

Systemtic Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionamide Formula: C21H26N6OS MolecularWeight: 410.53574

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)C4CC4

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)C4CC4

InChI

InChI=1S/C21H26N6OS/c1-4-26-20(16-10-11-16)23-24-21(26)29-13-12-18(28)22-19-14(2)25-27(15(19)3)17-8-6-5-7-9-17/h5-9,16H,4,10-13H2,1-3H3,(H,22,28)