4-phenyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 4-phenyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(E)-cinnamyl]sulfanyl-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 4-phenyl-3-[[(E)-3-phenylprop-2-enyl]thio]-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 4-phenyl-3-[(E)-3-phenylprop-2-enyl]sulfanyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[[(E)-cinnamyl]thio]-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SC/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H24N4S/c1-3-10-19(11-4-1)12-9-17-27-22-24-23-21(18-25-15-7-8-16-25)26(22)20-13-5-2-6-14-20/h1-6,9-14H,7-8,15-18H2/b12-9+