1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)thiourea

Systemtic Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)thiourea Openeye Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-indan-2-yl-thiourea CAS Name: 1-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-3-(2,3-dihydro-1H-inden-2-yl)thiourea IUPAC Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(2,3-dihydro-1H-inden-2-yl)thiourea Traditional Name: 1-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-indan-2-yl-thiourea Formula: C20H19N7S MolecularWeight: 389.47676

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC2=CC=CC=C21)NC(=S)NC3=CN(N=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1C(CC2=CC=CC=C21)NC(=S)NC3=CN(N=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C20H19N7S/c28-20(22-16-9-14-5-1-2-6-15(14)10-16)23-17-11-21-26(12-17)13-27-19-8-4-3-7-18(19)24-25-27/h1-8,11-12,16H,9-10,13H2,(H2,22,23,28)