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

Systemtic Name: 1-(3-methylbutyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-isopentyl-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(3-methylbutyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea IUPAC Name: 1-(3-methylbutyl)-3-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-isoamyl-3-[4-(1,2,4-triazol-1-ylmethyl)benzyl]urea Formula: C16H23N5O MolecularWeight: 301.38672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NCC1=CC=C(C=C1)CN2C=NC=N2

Isomeric SMILES

CC(C)CCNC(=O)NCC1=CC=C(C=C1)CN2C=NC=N2

InChI

InChI=1S/C16H23N5O/c1-13(2)7-8-18-16(22)19-9-14-3-5-15(6-4-14)10-21-12-17-11-20-21/h3-6,11-13H,7-10H2,1-2H3,(H2,18,19,22)