diethyl-[(4S)-4-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentyl]azanium Openeye Name: diethyl-[(4S)-4-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)pentyl]ammonium CAS Name: diethyl-[(4S)-4-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)pentyl]azanium Traditional Name: diethyl-[(4S)-4-(3-isopropyl-5-thioxo-1H-1,2,4-triazol-4-yl)pentyl]ammonium Formula: C14H29N4S+ MolecularWeight: 285.47186

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)N1C(=NNC1=S)C(C)C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)N1C(=NNC1=S)C(C)C

InChI

InChI=1S/C14H28N4S/c1-6-17(7-2)10-8-9-12(5)18-13(11(3)4)15-16-14(18)19/h11-12H,6-10H2,1-5H3,(H,16,19)/p+1/t12-/m0/s1