1-(3-methylphenyl)-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea

Systemtic Name: 1-(3-methylphenyl)-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea Openeye Name: 1-(m-tolyl)-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea CAS Name: 1-(3-methylphenyl)-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea Traditional Name: 1-(m-tolyl)-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]urea Formula: C17H17N5O MolecularWeight: 307.34978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C17H17N5O/c1-13-3-2-4-16(9-13)21-17(23)20-15-7-5-14(6-8-15)10-22-12-18-11-19-22/h2-9,11-12H,10H2,1H3,(H2,20,21,23)