6-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one

Systemtic Name: 6-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one Openeye Name: 6-[3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-3-thioxo-2H-1,2,4-triazin-5-one CAS Name: 6-[3-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one IUPAC Name: 6-[3-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one Traditional Name: 6-[3-keto-3-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]propyl]-3-thioxo-2H-1,2,4-triazin-5-one Formula: C21H24N5O2S+ MolecularWeight: 410.51256

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC4=NNC(=S)NC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC4=NNC(=S)NC4=O

InChI

InChI=1S/C21H23N5O2S/c27-19(9-8-18-20(28)22-21(29)24-23-18)26-12-10-25(11-13-26)14-16-6-3-5-15-4-1-2-7-17(15)16/h1-7H,8-14H2,(H2,22,24,28,29)/p+1