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

Systemtic Name: N-(4-acetamidophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O2S/c1-3-13-26-20(16-7-5-4-6-8-16)24-25-21(26)29-14-19(28)23-18-11-9-17(10-12-18)22-15(2)27/h3-12H,1,13-14H2,2H3,(H,22,27)(H,23,28)