2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide

Systemtic Name: 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)ethanamide Openeye Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide CAS Name: 2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-N-(2,4,6-trimethylphenyl)acetamide IUPAC Name: 2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide Traditional Name: 2-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-N-mesityl-acetamide Formula: C20H22N6OS MolecularWeight: 394.49328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3)C

InChI

InChI=1S/C20H22N6OS/c1-5-8-26-19(16-11-21-6-7-22-16)24-25-20(26)28-12-17(27)23-18-14(3)9-13(2)10-15(18)4/h5-7,9-11H,1,8,12H2,2-4H3,(H,23,27)