1-(1-adamantyl)-3-[4-(3-propoxy-1,2,4-triazol-1-yl)phenyl]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[4-(3-propoxy-1,2,4-triazol-1-yl)phenyl]thiourea Openeye Name: 1-(1-adamantyl)-3-[4-(3-propoxy-1,2,4-triazol-1-yl)phenyl]thiourea CAS Name: 1-(1-adamantyl)-3-[4-(3-propoxy-1,2,4-triazol-1-yl)phenyl]thiourea IUPAC Name: 1-(1-adamantyl)-3-[4-(3-propoxy-1,2,4-triazol-1-yl)phenyl]thiourea Traditional Name: 1-(1-adamantyl)-3-[4-(3-propoxy-1,2,4-triazol-1-yl)phenyl]thiourea Formula: C22H29N5OS MolecularWeight: 411.56356

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N5OS/c1-2-7-28-20-23-14-27(26-20)19-5-3-18(4-6-19)24-21(29)25-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-6,14-17H,2,7-13H2,1H3,(H2,24,25,29)