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

Systemtic Name: 5-phenyl-3-[4-(phenylmethyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]thiophen-2-amine Openeye Name: 3-(5-allylsulfanyl-4-benzyl-1,2,4-triazol-3-yl)-5-phenyl-thiophen-2-amine CAS Name: 5-phenyl-3-[4-(phenylmethyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]-2-thiophenamine IUPAC Name: 3-(4-benzyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-5-phenylthiophen-2-amine Traditional Name: [3-[5-(allylthio)-4-benzyl-1,2,4-triazol-3-yl]-5-phenyl-2-thienyl]amine Formula: C22H20N4S2 MolecularWeight: 404.551

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1CC2=CC=CC=C2)C3=C(SC(=C3)C4=CC=CC=C4)N

Isomeric SMILES

C=CCSC1=NN=C(N1CC2=CC=CC=C2)C3=C(SC(=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C22H20N4S2/c1-2-13-27-22-25-24-21(26(22)15-16-9-5-3-6-10-16)18-14-19(28-20(18)23)17-11-7-4-8-12-17/h2-12,14H,1,13,15,23H2