3-azanyl-2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl]but-2-enenitrile

Systemtic Name: 3-azanyl-2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]ethanoyl]but-2-enenitrile Openeye Name: 3-amino-2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]but-2-enenitrile CAS Name: 3-amino-2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-1-oxoethyl]-2-butenenitrile IUPAC Name: 3-amino-2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetyl]but-2-enenitrile Traditional Name: 3-amino-2-[2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetyl]but-2-enenitrile Formula: C21H17N5OS MolecularWeight: 387.45758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

CC(=C(C#N)C(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C21H17N5OS/c1-14(23)17(12-22)18(27)13-28-21-24-19(15-8-4-2-5-9-15)20(25-26-21)16-10-6-3-7-11-16/h2-11H,13,23H2,1H3