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

Systemtic Name: 1-(1-adamantyl)-2-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[(5Z)-4-hexyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[[(5Z)-4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C28H36N4OS MolecularWeight: 476.67664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCCCN1/C(=C\2/C=NC3=CC=CC=C32)/NN=C1SCC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H36N4OS/c1-2-3-4-7-10-32-26(23-17-29-24-9-6-5-8-22(23)24)30-31-27(32)34-18-25(33)28-14-19-11-20(15-28)13-21(12-19)16-28/h5-6,8-9,17,19-21,30H,2-4,7,10-16,18H2,1H3/b26-23-