N-(4-methoxyphenyl)-3-methyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Systemtic Name: N-(4-methoxyphenyl)-3-methyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Openeye Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-3-methyl-butanamide CAS Name: N-(4-methoxyphenyl)-3-methyl-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-(4-methoxyphenyl)-3-methyl-2-[[5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]butanamide Traditional Name: 2-[[4-allyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxyphenyl)-3-methyl-butyramide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-6-12-26-20(18-11-13-29-15(18)4)24-25-22(26)30-19(14(2)3)21(27)23-16-7-9-17(28-5)10-8-16/h6-11,13-14,19H,1,12H2,2-5H3,(H,23,27)