4-phenyl-3-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole

Systemtic Name: 4-phenyl-3-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazole Openeye Name: 3-allylsulfanyl-5-benzyl-4-phenyl-1,2,4-triazole CAS Name: 4-phenyl-3-(phenylmethyl)-5-(prop-2-enylthio)-1,2,4-triazole IUPAC Name: 3-benzyl-4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazole Traditional Name: 3-(allylthio)-5-benzyl-4-phenyl-1,2,4-triazole Formula: C18H17N3S MolecularWeight: 307.41268

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C=CCSC1=NN=C(N1C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H17N3S/c1-2-13-22-18-20-19-17(14-15-9-5-3-6-10-15)21(18)16-11-7-4-8-12-16/h2-12H,1,13-14H2