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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3

InChI

InChI=1S/C20H22N6OS/c1-4-11-26-19(17-12-21-9-10-22-17)24-25-20(26)28-13-18(27)23-16-8-6-5-7-15(16)14(2)3/h4-10,12,14H,1,11,13H2,2-3H3,(H,23,27)