3,3-dimethyl-1-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 1-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[4-prop-2-enyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 1-[(4-allyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]-3,3-dimethyl-butan-2-one Formula: C15H19N5OS MolecularWeight: 317.40926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=NC=CN=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=NC=CN=C2

InChI

InChI=1S/C15H19N5OS/c1-5-8-20-13(11-9-16-6-7-17-11)18-19-14(20)22-10-12(21)15(2,3)4/h5-7,9H,1,8,10H2,2-4H3