N-[3-acetamido-4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide

Systemtic Name: N-[3-acetamido-4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]ethanamide Openeye Name: N-[3-acetamido-4-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide CAS Name: N-[3-acetamido-4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]acetamide IUPAC Name: N-[3-acetamido-4-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]acetamide Traditional Name: N-[3-acetamido-4-[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]acetamide Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)C2=C(C=C(C=C2)NC(=O)C)NC(=O)C

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)C2=C(C=C(C=C2)NC(=O)C)NC(=O)C

InChI

InChI=1S/C18H21N5O3S/c1-5-8-23-11(2)21-22-18(23)27-10-17(26)15-7-6-14(19-12(3)24)9-16(15)20-13(4)25/h5-7,9H,1,8,10H2,2-4H3,(H,19,24)(H,20,25)