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

Systemtic Name: N-(2,6-dimethylphenyl)-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-(2,6-dimethylphenyl)acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-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-(2,6-dimethylphenyl)acetamide Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6OS/c1-4-10-25-18(15-11-20-8-9-21-15)23-24-19(25)27-12-16(26)22-17-13(2)6-5-7-14(17)3/h4-9,11H,1,10,12H2,2-3H3,(H,22,26)