2-[[4-methyl-5-[(Z)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine-4,6-diamine

Systemtic Name: 2-[[4-methyl-5-[(Z)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine-4,6-diamine Openeye Name: 2-[[5-[(Z)-cinnamyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine-4,6-diamine CAS Name: 2-[[4-methyl-5-[[(Z)-3-phenylprop-2-enyl]thio]-1,2,4-triazol-3-yl]methylthio]pyrimidine-4,6-diamine IUPAC Name: 2-[[4-methyl-5-[(Z)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]pyrimidine-4,6-diamine Traditional Name: [6-amino-2-[[5-[[(Z)-cinnamyl]thio]-4-methyl-1,2,4-triazol-3-yl]methylthio]pyrimidin-4-yl]amine Formula: C17H19N7S2 MolecularWeight: 385.50966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC=CC2=CC=CC=C2)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CN1C(=NN=C1SC/C=C\C2=CC=CC=C2)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H19N7S2/c1-24-15(11-26-16-20-13(18)10-14(19)21-16)22-23-17(24)25-9-5-8-12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H4,18,19,20,21)/b8-5-