4-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propyl]amino]benzamide IUPAC Name: 4-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]propanoylamino]benzamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2CC=C)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NN=C(N2CC=C)C3=CC=CC=C3

InChI

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