3-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N,N-diethyl-benzamide

Systemtic Name: 3-[2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-N,N-diethyl-benzamide Openeye Name: 3-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethyl-benzamide CAS Name: 3-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-N,N-diethylbenzamide IUPAC Name: 3-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N,N-diethylbenzamide Traditional Name: 3-[[2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-N,N-diethyl-benzamide Formula: C18H24N6O2S MolecularWeight: 388.48716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3CC3

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3CC3

InChI

InChI=1S/C18H24N6O2S/c1-3-23(4-2)17(26)13-6-5-7-14(10-13)20-15(25)11-27-18-22-21-16(24(18)19)12-8-9-12/h5-7,10,12H,3-4,8-9,11,19H2,1-2H3,(H,20,25)