2-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-[(E)-cinnamyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[[4-phenyl-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazol-3-yl]methylthio]-1H-quinazolin-4-one IUPAC Name: 2-[[4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[[5-[[(E)-cinnamyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methylthio]-1H-quinazolin-4-one Formula: C26H21N5OS2 MolecularWeight: 483.60784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSC2=NN=C(N2C3=CC=CC=C3)CSC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H21N5OS2/c32-24-21-15-7-8-16-22(21)27-25(28-24)34-18-23-29-30-26(31(23)20-13-5-2-6-14-20)33-17-9-12-19-10-3-1-4-11-19/h1-16H,17-18H2,(H,27,28,32)/b12-9+