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

Systemtic Name: 2-[[5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)ethanamide Openeye Name: 2-[[5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide CAS Name: 2-[[5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-[(2-methoxyethylamino)-oxomethyl]acetamide IUPAC Name: 2-[[5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide Traditional Name: 2-[[5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methoxyethylcarbamoyl)acetamide Formula: C21H26N6O4S MolecularWeight: 458.53394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O4S/c1-30-10-8-22-20(29)24-18(28)13-32-21-26-25-19(27(21)12-14-5-4-9-31-14)16-11-23-17-7-3-2-6-15(16)17/h2-3,6-7,11,14,25H,4-5,8-10,12-13H2,1H3,(H2,22,24,28,29)