1-(3-methoxypropyl)-3-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiourea

Systemtic Name: 1-(3-methoxypropyl)-3-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiourea Openeye Name: 1-(3-methoxypropyl)-3-[1-(m-tolylmethyl)-1,2,4-triazol-3-yl]thiourea CAS Name: 1-(3-methoxypropyl)-3-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiourea IUPAC Name: 1-(3-methoxypropyl)-3-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]thiourea Traditional Name: 1-(3-methoxypropyl)-3-[1-(3-methylbenzyl)-1,2,4-triazol-3-yl]thiourea Formula: C15H21N5OS MolecularWeight: 319.42514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=S)NCCCOC

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC(=N2)NC(=S)NCCCOC

InChI

InChI=1S/C15H21N5OS/c1-12-5-3-6-13(9-12)10-20-11-17-14(19-20)18-15(22)16-7-4-8-21-2/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H2,16,18,19,22)