2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-[[4-azanyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[4-amino-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CO4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NN=C(N3N)C4=CC=CO4

InChI

InChI=1S/C21H19N5O3S/c1-14(30-21-25-24-19(26(21)22)18-8-5-13-28-18)20(27)23-15-9-11-17(12-10-15)29-16-6-3-2-4-7-16/h2-14H,22H2,1H3,(H,23,27)