ethyl 4-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]butanoate

Systemtic Name: ethyl 4-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]butanoate CAS Name: 4-[[[[1-(1-benzotriazolylmethyl)-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]carbamothioylamino]butanoate Traditional Name: 4-[[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]thiocarbamoylamino]butyric acid ethyl ester Formula: C17H21N7O2S MolecularWeight: 387.45934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)CCCNC(=S)NC1=CN(N=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H21N7O2S/c1-2-26-16(25)8-5-9-18-17(27)20-13-10-19-23(11-13)12-24-15-7-4-3-6-14(15)21-22-24/h3-4,6-7,10-11H,2,5,8-9,12H2,1H3,(H2,18,20,27)