4-(3-methylphenoxy)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]butanamide

Systemtic Name: 4-(3-methylphenoxy)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]butanamide Openeye Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-(3-methylphenoxy)butanamide CAS Name: 4-(3-methylphenoxy)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-thiazolyl]butanamide IUPAC Name: 4-(3-methylphenoxy)-N-[4-methyl-5-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]butanamide Traditional Name: N-[5-(4-allyl-5-thioxo-1H-1,2,4-triazol-3-yl)-4-methyl-thiazol-2-yl]-4-(3-methylphenoxy)butyramide Formula: C20H23N5O2S2 MolecularWeight: 429.55892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=NC(=C(S2)C3=NNC(=S)N3CC=C)C

InChI

InChI=1S/C20H23N5O2S2/c1-4-10-25-18(23-24-20(25)28)17-14(3)21-19(29-17)22-16(26)9-6-11-27-15-8-5-7-13(2)12-15/h4-5,7-8,12H,1,6,9-11H2,2-3H3,(H,24,28)(H,21,22,26)