1-[2-(benzotriazol-1-yl)ethanoylamino]-3-ethyl-thiourea

Systemtic Name: 1-[2-(benzotriazol-1-yl)ethanoylamino]-3-ethyl-thiourea Openeye Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-ethyl-thiourea CAS Name: 1-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-3-ethylthiourea IUPAC Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-ethylthiourea Traditional Name: 1-[[2-(benzotriazol-1-yl)acetyl]amino]-3-ethyl-thiourea Formula: C11H14N6OS MolecularWeight: 278.33346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

Isomeric SMILES

CCNC(=S)NNC(=O)CN1C2=CC=CC=C2N=N1

InChI

InChI=1S/C11H14N6OS/c1-2-12-11(19)15-14-10(18)7-17-9-6-4-3-5-8(9)13-16-17/h3-6H,2,7H2,1H3,(H,14,18)(H2,12,15,19)