N-butyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-butyl-acetamide CAS Name: N-butyl-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-butyl-acetamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1CC=C)C2=C(OC=C2)C

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1CC=C)C2=C(OC=C2)C

InChI

InChI=1S/C16H22N4O2S/c1-4-6-8-17-14(21)11-23-16-19-18-15(20(16)9-5-2)13-7-10-22-12(13)3/h5,7,10H,2,4,6,8-9,11H2,1,3H3,(H,17,21)