1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea

Systemtic Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea Openeye Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-morpholinoethyl)thiourea CAS Name: 1-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-[2-(4-morpholinyl)ethyl]thiourea IUPAC Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-morpholin-4-ylethyl)thiourea Traditional Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2-morpholinoethyl)thiourea Formula: C17H22N8OS MolecularWeight: 386.47458

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=S)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1COCCN1CCNC(=S)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H22N8OS/c27-17(18-5-6-23-7-9-26-10-8-23)20-14-11-19-24(12-14)13-25-16-4-2-1-3-15(16)21-22-25/h1-4,11-12H,5-10,13H2,(H2,18,20,27)