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

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-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-chloro-4,6-dimethyl-phenyl)acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-chloro-4,6-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-chloro-4,6-dimethyl-phenyl)acetamide Formula: C19H19ClN6OS MolecularWeight: 414.91176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN6OS/c1-4-7-26-18(15-10-21-5-6-22-15)24-25-19(26)28-11-16(27)23-17-13(3)8-12(2)9-14(17)20/h4-6,8-10H,1,7,11H2,2-3H3,(H,23,27)