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

Systemtic Name: 4,6-dimethyl-2-[[5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[4-allyl-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 4,6-dimethyl-2-[[5-(1-naphthalenylmethylthio)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[[5-(naphthalen-1-ylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[4-allyl-5-(1-naphthylmethylthio)-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C23H23N5S2 MolecularWeight: 433.59222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C23H23N5S2/c1-4-12-28-21(15-29-22-24-16(2)13-17(3)25-22)26-27-23(28)30-14-19-10-7-9-18-8-5-6-11-20(18)19/h4-11,13H,1,12,14-15H2,2-3H3