(6-methoxynaphthalen-2-yl)methyl-methyl-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: (6-methoxynaphthalen-2-yl)methyl-methyl-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: (6-methoxy-2-naphthyl)methyl-methyl-[(4-pentyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: (6-methoxy-2-naphthalenyl)methyl-methyl-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: (6-methoxynaphthalen-2-yl)methyl-methyl-[(4-pentyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: (4-amyl-5-thioxo-1,2,4-triazol-1-yl)methyl-[(6-methoxy-2-naphthyl)methyl]-methyl-ammonium Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN(C1=S)C[NH+](C)CC2=CC3=C(C=C2)C=C(C=C3)OC

Isomeric SMILES

CCCCCN1C=NN(C1=S)C[NH+](C)CC2=CC3=C(C=C2)C=C(C=C3)OC

InChI

InChI=1S/C21H28N4OS/c1-4-5-6-11-24-15-22-25(21(24)27)16-23(2)14-17-7-8-19-13-20(26-3)10-9-18(19)12-17/h7-10,12-13,15H,4-6,11,14,16H2,1-3H3/p+1