1-(3-methoxypropyl)-3-[4-(1,2,3,4-tetrazol-1-yl)phenyl]thiourea

Systemtic Name: 1-(3-methoxypropyl)-3-[4-(1,2,3,4-tetrazol-1-yl)phenyl]thiourea Openeye Name: 1-(3-methoxypropyl)-3-[4-(tetrazol-1-yl)phenyl]thiourea CAS Name: 1-(3-methoxypropyl)-3-[4-(1-tetrazolyl)phenyl]thiourea IUPAC Name: 1-(3-methoxypropyl)-3-[4-(tetrazol-1-yl)phenyl]thiourea Traditional Name: 1-(3-methoxypropyl)-3-[4-(tetrazol-1-yl)phenyl]thiourea Formula: C12H16N6OS MolecularWeight: 292.36004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NC1=CC=C(C=C1)N2C=NN=N2

Isomeric SMILES

COCCCNC(=S)NC1=CC=C(C=C1)N2C=NN=N2

InChI

InChI=1S/C12H16N6OS/c1-19-8-2-7-13-12(20)15-10-3-5-11(6-4-10)18-9-14-16-17-18/h3-6,9H,2,7-8H2,1H3,(H2,13,15,20)