(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(5-bromanylthiophen-2-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-3-(5-bromanylthiophen-2-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(5-bromo-2-thienyl)prop-2-enenitrile CAS Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(5-bromo-2-thiophenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-3-(5-bromothiophen-2-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-amino-6-anilino-s-triazin-2-yl)-3-(5-bromo-2-thienyl)acrylonitrile Formula: C16H11BrN6S MolecularWeight: 399.26774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C(=CC3=CC=C(S3)Br)C#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)/C(=C/C3=CC=C(S3)Br)/C#N

InChI

InChI=1S/C16H11BrN6S/c17-13-7-6-12(24-13)8-10(9-18)14-21-15(19)23-16(22-14)20-11-4-2-1-3-5-11/h1-8H,(H3,19,20,21,22,23)/b10-8+