3-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione CAS Name: 3-[[5-(3-indolylidene)-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]pentane-2,4-dione IUPAC Name: 3-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Traditional Name: 3-[[5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]thio]pentane-2,4-dione Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

InChI

InChI=1S/C18H20N4O3S/c1-11(23)16(12(2)24)26-18-21-20-17(22(18)8-9-25-3)14-10-19-15-7-5-4-6-13(14)15/h4-7,10,16,20H,8-9H2,1-3H3