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

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)propanamide CAS Name: N-(4-dimethylaminophenyl)-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C)C(=O)NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H25N5O2S/c1-6-12-26-19(18-11-13-28-14(18)2)23-24-21(26)29-15(3)20(27)22-16-7-9-17(10-8-16)25(4)5/h6-11,13,15H,1,12H2,2-5H3,(H,22,27)