N-[[5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-allyl-5-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[5-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[4-allyl-5-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C20H20ClN5O3S MolecularWeight: 445.9225

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C20H20ClN5O3S/c1-3-9-26-17(11-22-19(28)16-8-5-10-29-16)24-25-20(26)30-12-18(27)23-15-7-4-6-14(21)13(15)2/h3-8,10H,1,9,11-12H2,2H3,(H,22,28)(H,23,27)