N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide

Systemtic Name: N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide Openeye Name: N-[4-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]butanamide CAS Name: N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]phenyl]butanamide IUPAC Name: N-[4-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]butanamide Traditional Name: N-[4-[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoyl]phenyl]butyramide Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC)C3=CC=CS3

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2CC)C3=CC=CS3

InChI

InChI=1S/C21H24N4O2S2/c1-4-7-18(26)22-16-11-9-15(10-12-16)19(27)14(3)29-21-24-23-20(25(21)5-2)17-8-6-13-28-17/h6,8-14H,4-5,7H2,1-3H3,(H,22,26)