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

Systemtic Name: N,N-diethyl-2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-ethanamide Openeye Name: N,N-diethyl-2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-acetamide CAS Name: N,N-diethyl-2-[[(5Z)-5-(3-indolylidene)-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]-2-phenylacetamide IUPAC Name: N,N-diethyl-2-[[(5Z)-5-indol-3-ylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide Traditional Name: N,N-diethyl-2-[[(5Z)-5-indol-3-ylidene-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]-2-phenyl-acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NNC(=C3C=NC4=CC=CC=C43)N2CC5CCCO5

Isomeric SMILES

CCN(CC)C(=O)C(C1=CC=CC=C1)SC2=NN/C(=C/3\C=NC4=CC=CC=C43)/N2CC5CCCO5

InChI

InChI=1S/C27H31N5O2S/c1-3-31(4-2)26(33)24(19-11-6-5-7-12-19)35-27-30-29-25(32(27)18-20-13-10-16-34-20)22-17-28-23-15-9-8-14-21(22)23/h5-9,11-12,14-15,17,20,24,29H,3-4,10,13,16,18H2,1-2H3/b25-22-