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

Systemtic Name: 4,6-dimethyl-2-[[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Openeye Name: 2-[[4-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methylsulfanyl]-4,6-dimethyl-pyrimidine CAS Name: 4,6-dimethyl-2-[[5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methylthio]pyrimidine IUPAC Name: 4,6-dimethyl-2-[[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine Traditional Name: 2-[[4-allyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]methylthio]-4,6-dimethyl-pyrimidine Formula: C19H20N6O2S2 MolecularWeight: 428.5311

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NN=C(N2CC=C)SCC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N6O2S2/c1-4-9-24-17(12-28-18-20-13(2)10-14(3)21-18)22-23-19(24)29-11-15-5-7-16(8-6-15)25(26)27/h4-8,10H,1,9,11-12H2,2-3H3