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

Systemtic Name: N,N-diethyl-3-[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 3-[[2-[(4-allyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: N,N-diethyl-3-[[1-oxo-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 3-[[2-[(4-allyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2CC=C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=CN2CC=C

InChI

InChI=1S/C18H23N5O2S/c1-4-10-23-13-19-21-18(23)26-12-16(24)20-15-9-7-8-14(11-15)17(25)22(5-2)6-3/h4,7-9,11,13H,1,5-6,10,12H2,2-3H3,(H,20,24)