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

Systemtic Name: 3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide Openeye Name: 3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanamide CAS Name: 3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)propanamide IUPAC Name: 3-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide Traditional Name: 3-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propionamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCSC3=NN=C(N3CC=C)C4CC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CCSC3=NN=C(N3CC=C)C4CC4

InChI

InChI=1S/C22H26N6OS/c1-4-13-27-21(17-10-11-17)24-25-22(27)30-14-12-19(29)23-20-15(2)26-28(16(20)3)18-8-6-5-7-9-18/h4-9,17H,1,10-14H2,2-3H3,(H,23,29)