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

Systemtic Name: 3,3-dimethyl-1-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 1-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 1-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-3,3-dimethyl-butan-2-one Formula: C15H19N3OS2 MolecularWeight: 321.46086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=CS2

InChI

InChI=1S/C15H19N3OS2/c1-5-8-18-13(11-7-6-9-20-11)16-17-14(18)21-10-12(19)15(2,3)4/h5-7,9H,1,8,10H2,2-4H3