ethyl (Z)-3-[(5-azanyl-1-phenethyl-1,2,3-triazol-4-yl)amino]but-2-enoate

Systemtic Name: ethyl (Z)-3-[(5-azanyl-1-phenethyl-1,2,3-triazol-4-yl)amino]but-2-enoate Openeye Name: ethyl (Z)-3-[(5-amino-1-phenethyl-triazol-4-yl)amino]but-2-enoate CAS Name: (Z)-3-[(5-amino-1-phenethyl-4-triazolyl)amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-3-[(5-amino-1-phenethyltriazol-4-yl)amino]but-2-enoate Traditional Name: (Z)-3-[(5-amino-1-phenethyl-triazol-4-yl)amino]but-2-enoic acid ethyl ester Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC1=C(N(N=N1)CCC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)/C=C(/C)\NC1=C(N(N=N1)CCC2=CC=CC=C2)N

InChI

InChI=1S/C16H21N5O2/c1-3-23-14(22)11-12(2)18-16-15(17)21(20-19-16)10-9-13-7-5-4-6-8-13/h4-8,11,18H,3,9-10,17H2,1-2H3/b12-11-