1-(1-adamantyl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[(5Z)-5-(3-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[(5Z)-5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C28H28N4OS MolecularWeight: 468.61312

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NNC(=C5C=NC6=CC=CC=C65)N4C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CSC4=NN/C(=C/5\C=NC6=CC=CC=C65)/N4C7=CC=CC=C7

InChI

InChI=1S/C28H28N4OS/c33-25(28-13-18-10-19(14-28)12-20(11-18)15-28)17-34-27-31-30-26(32(27)21-6-2-1-3-7-21)23-16-29-24-9-5-4-8-22(23)24/h1-9,16,18-20,30H,10-15,17H2/b26-23-