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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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