N,N-diethyl-3-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: N,N-diethyl-3-[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 3-[[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: N,N-diethyl-3-[[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N,N-diethyl-3-[[2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 3-[[2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2CC=C)C

InChI

InChI=1S/C19H25N5O2S/c1-5-11-24-14(4)21-22-19(24)27-13-17(25)20-16-10-8-9-15(12-16)18(26)23(6-2)7-3/h5,8-10,12H,1,6-7,11,13H2,2-4H3,(H,20,25)