3-[3-(2-oxidanylidenepropylsulfanyl)-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one

Systemtic Name: 3-[3-(2-oxidanylidenepropylsulfanyl)-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-(3-acetonylsulfanyl-4-benzyl-1H-1,2,4-triazol-5-ylidene)naphthalen-2-one CAS Name: 3-[3-(2-oxopropylthio)-4-(phenylmethyl)-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-benzyl-3-(2-oxopropylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[3-(acetonylthio)-4-benzyl-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NNC(=C2C=C3C=CC=CC3=CC2=O)N1CC4=CC=CC=C4

Isomeric SMILES

CC(=O)CSC1=NNC(=C2C=C3C=CC=CC3=CC2=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O2S/c1-15(26)14-28-22-24-23-21(25(22)13-16-7-3-2-4-8-16)19-11-17-9-5-6-10-18(17)12-20(19)27/h2-12,23H,13-14H2,1H3