1-(1H-indol-3-yl)-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)-2-phenyl-ethanone CAS Name: 1-(1H-indol-3-yl)-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-phenyl-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(1H-indol-3-yl)-2-phenyl-ethanone Formula: C27H22N4OS MolecularWeight: 450.55478

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4OS/c1-2-17-31-26(20-13-7-4-8-14-20)29-30-27(31)33-25(19-11-5-3-6-12-19)24(32)22-18-28-23-16-10-9-15-21(22)23/h2-16,18,25,28H,1,17H2