(2E)-5-methoxy-3-phenyl-2-[4-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: (2E)-5-methoxy-3-phenyl-2-[4-phenyl-3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: (2E)-2-(3-benzylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-methoxy-3-phenyl-indole CAS Name: (2E)-5-methoxy-3-phenyl-2-[4-phenyl-3-(phenylmethylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: (2E)-2-(3-benzylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-ylidene)-5-methoxy-3-phenylindole Traditional Name: (2E)-2-[3-(benzylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]-5-methoxy-3-phenyl-indole Formula: C30H24N4OS MolecularWeight: 488.60276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C3NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5)N=C2C=C1)C6=CC=CC=C6

Isomeric SMILES

COC1=CC2=C(/C(=C/3\NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5)/N=C2C=C1)C6=CC=CC=C6

InChI

InChI=1S/C30H24N4OS/c1-35-24-17-18-26-25(19-24)27(22-13-7-3-8-14-22)28(31-26)29-32-33-30(34(29)23-15-9-4-10-16-23)36-20-21-11-5-2-6-12-21/h2-19,32H,20H2,1H3/b29-28-