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

Systemtic Name: N-(2-methoxyphenyl)-4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-(2-methoxyphenyl)benzamide CAS Name: N-(2-methoxyphenyl)-4-[[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N-(2-methoxyphenyl)benzamide Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)NC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H23N5O3S/c1-4-13-27-15(2)25-26-22(27)31-14-20(28)23-17-11-9-16(10-12-17)21(29)24-18-7-5-6-8-19(18)30-3/h4-12H,1,13-14H2,2-3H3,(H,23,28)(H,24,29)