4-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[[4-azanyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-[[4-amino-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-[[4-amino-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-3-keto-butyronitrile Formula: C19H18N6OS MolecularWeight: 378.45082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NN=C(N1N)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C19H18N6OS/c1-12(21)16(10-20)17(26)11-27-19-24-23-18(25(19)22)9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,16,21H,9,11,22H2,1H3