(2R)-2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: (2R)-2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: (2R)-2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-2-[[4-(4-ethoxyphenyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-2-[[4-(4-ethoxyphenyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: (2R)-2-[(5-indol-3-ylidene-4-p-phenetyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2SC(C)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C3C=NC4=CC=CC=C43)NN=C2S[C@H](C)C(=O)N

InChI

InChI=1S/C21H21N5O2S/c1-3-28-15-10-8-14(9-11-15)26-20(24-25-21(26)29-13(2)19(22)27)17-12-23-18-7-5-4-6-16(17)18/h4-13,24H,3H2,1-2H3,(H2,22,27)/t13-/m1/s1