2-[[5-(1,3-dioxolan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[[5-(1,3-dioxolan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[[4-allyl-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 2-[[5-(1,3-dioxolan-2-ylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylthio]-4,6-dimethylpyrimidine IUPAC Name: 2-[[5-(1,3-dioxolan-2-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[4-allyl-5-(1,3-dioxolan-2-ylmethylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C16H21N5O2S2 MolecularWeight: 379.50024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3OCCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3OCCO3)C

InChI

InChI=1S/C16H21N5O2S2/c1-4-5-21-13(9-24-15-17-11(2)8-12(3)18-15)19-20-16(21)25-10-14-22-6-7-23-14/h4,8,14H,1,5-7,9-10H2,2-3H3