N-[4-[2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5-methoxy-2-methyl-phenyl]benzamide

Systemtic Name: N-[4-[2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5-methoxy-2-methyl-phenyl]benzamide Openeye Name: N-[4-[[2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methoxy-2-methyl-phenyl]benzamide CAS Name: N-[4-[[2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5-methoxy-2-methylphenyl]benzamide IUPAC Name: N-[4-[[2-[[5-(2-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methoxy-2-methylphenyl]benzamide Traditional Name: N-[4-[[2-[[4-allyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-methoxy-2-methyl-phenyl]benzamide Formula: C28H26ClN5O3S MolecularWeight: 548.05574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=CC=C4Cl

InChI

InChI=1S/C28H26ClN5O3S/c1-4-14-34-26(20-12-8-9-13-21(20)29)32-33-28(34)38-17-25(35)30-23-15-18(2)22(16-24(23)37-3)31-27(36)19-10-6-5-7-11-19/h4-13,15-16H,1,14,17H2,2-3H3,(H,30,35)(H,31,36)