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

Systemtic Name: N-butan-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-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-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-sec-butyl-acetamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O2S/c1-3-14(2)23-19(27)13-29-21-25-24-20(26(21)12-15-7-6-10-28-15)17-11-22-18-9-5-4-8-16(17)18/h4-5,8-9,11,14-15,24H,3,6-7,10,12-13H2,1-2H3,(H,23,27)/b20-17-