N-heptan-2-yl-2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-heptan-2-yl-2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: N-heptan-2-yl-2-[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C24H33N5O2S MolecularWeight: 455.61612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NNC(=C2C=NC3=CC=CC=C32)N1CC4CCCO4

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN/C(=C/2\C=NC3=CC=CC=C32)/N1CC4CCCO4

InChI

InChI=1S/C24H33N5O2S/c1-3-4-5-9-17(2)26-22(30)16-32-24-28-27-23(29(24)15-18-10-8-13-31-18)20-14-25-21-12-7-6-11-19(20)21/h6-7,11-12,14,17-18,27H,3-5,8-10,13,15-16H2,1-2H3,(H,26,30)/b23-20-