1-[[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]methylidene]naphthalen-2-one

Systemtic Name: 1-[[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]methylidene]naphthalen-2-one Openeye Name: 1-[[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]methylene]naphthalen-2-one CAS Name: 1-[[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylidene]-2-naphthalenone IUPAC Name: 1-[[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]methylidene]naphthalen-2-one Traditional Name: 1-[[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]methylene]naphthalen-2-one Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC)CCCNC=C2C(=O)C=CC3=CC=CC=C32

Isomeric SMILES

CC(C)CN1C(=NN=C1SC)CCCNC=C2C(=O)C=CC3=CC=CC=C32

InChI

InChI=1S/C21H26N4OS/c1-15(2)14-25-20(23-24-21(25)27-3)9-6-12-22-13-18-17-8-5-4-7-16(17)10-11-19(18)26/h4-5,7-8,10-11,13,15,22H,6,9,12,14H2,1-3H3