2-[2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]ethyl-diethyl-azanium Openeye Name: 2-[[2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]ethyl-diethylazanium Traditional Name: 2-[[2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]acetyl]amino]ethyl-diethyl-ammonium Formula: C13H27N6OS+ MolecularWeight: 315.45808

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CSC1=NN=C(N1N)C(C)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)CSC1=NN=C(N1N)C(C)C

InChI

InChI=1S/C13H26N6OS/c1-5-18(6-2)8-7-15-11(20)9-21-13-17-16-12(10(3)4)19(13)14/h10H,5-9,14H2,1-4H3,(H,15,20)/p+1