4-[4-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-amine

Systemtic Name: 4-[4-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-amine Openeye Name: 4-[5-allylsulfanyl-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-amine CAS Name: 4-[4-(4-chlorophenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-2-phenyl-3-pyrazolamine IUPAC Name: 4-[4-(4-chlorophenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]-2-phenylpyrazol-3-amine Traditional Name: [4-[5-(allylthio)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-phenyl-pyrazol-3-yl]amine Formula: C20H17ClN6S MolecularWeight: 408.90718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=C(N(N=C3)C4=CC=CC=C4)N

Isomeric SMILES

C=CCSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=C(N(N=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C20H17ClN6S/c1-2-12-28-20-25-24-19(26(20)15-10-8-14(21)9-11-15)17-13-23-27(18(17)22)16-6-4-3-5-7-16/h2-11,13H,1,12,22H2