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

Systemtic Name: N-aminocarbonyl-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-carbamoyl-3-methyl-butanamide CAS Name: N-carbamoyl-3-methyl-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]butanamide IUPAC Name: N-carbamoyl-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-carbamoyl-3-methyl-butyramide Formula: C16H21N5O3S MolecularWeight: 363.43464

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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)NC(=O)N

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SC(C(C)C)C(=O)NC(=O)N

InChI

InChI=1S/C16H21N5O3S/c1-5-7-21-13(11-6-8-24-10(11)4)19-20-16(21)25-12(9(2)3)14(22)18-15(17)23/h5-6,8-9,12H,1,7H2,2-4H3,(H3,17,18,22,23)