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

Systemtic Name: 4,6-dimethyl-2-[[5-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[(4-allyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 4,6-dimethyl-2-[[5-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 2-[(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)methylsulfanyl]-4,6-dimethylpyrimidine Traditional Name: 2-[[4-allyl-5-(benzylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C19H21N5S2 MolecularWeight: 383.53354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC=CC=C3)C

InChI

InChI=1S/C19H21N5S2/c1-4-10-24-17(13-25-18-20-14(2)11-15(3)21-18)22-23-19(24)26-12-16-8-6-5-7-9-16/h4-9,11H,1,10,12-13H2,2-3H3