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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-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-(4-bromo-2-methyl-phenyl)acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-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-(4-bromo-2-methyl-phenyl)acetamide Formula: C19H19BrN4O2S MolecularWeight: 447.34876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CSC2=NN=C(N2CC=C)C3=C(OC=C3)C

InChI

InChI=1S/C19H19BrN4O2S/c1-4-8-24-18(15-7-9-26-13(15)3)22-23-19(24)27-11-17(25)21-16-6-5-14(20)10-12(16)2/h4-7,9-10H,1,8,11H2,2-3H3,(H,21,25)