N-cyclohexyl-2-[[5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide

Systemtic Name: N-cyclohexyl-2-[[5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: N-cyclohexyl-2-[[5-indol-3-ylidene-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: N-cyclohexyl-2-[[5-(3-indolylidene)-4-[[(2R)-2-oxolanyl]methyl]-1H-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: N-cyclohexyl-2-[[5-indol-3-ylidene-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: N-cyclohexyl-2-[[5-indol-3-ylidene-4-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C24H31N5O2S MolecularWeight: 453.60024

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2CC5CCCO5

Isomeric SMILES

CN(C1CCCCC1)C(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C[C@H]5CCCO5

InChI

InChI=1S/C24H31N5O2S/c1-28(17-8-3-2-4-9-17)22(30)16-32-24-27-26-23(29(24)15-18-10-7-13-31-18)20-14-25-21-12-6-5-11-19(20)21/h5-6,11-12,14,17-18,26H,2-4,7-10,13,15-16H2,1H3/t18-/m1/s1