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

Systemtic Name: N-[1-[5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[1-[4-allyl-5-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[1-[5-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[1-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[1-[4-allyl-5-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide Formula: C25H28ClN5O3S MolecularWeight: 514.03952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)C(C)NC(=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H28ClN5O3S/c1-5-13-31-24(17(3)27-22(32)14-18-9-11-19(34-4)12-10-18)29-30-25(31)35-15-23(33)28-21-8-6-7-20(26)16(21)2/h5-12,17H,1,13-15H2,2-4H3,(H,27,32)(H,28,33)