4-[2-[2-(benzotriazol-1-yl)ethanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[2-(benzotriazol-1-yl)ethanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[[2-(benzotriazol-1-yl)acetyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[[2-(benzotriazol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[[2-(benzotriazol-1-yl)acetyl]amino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C16H13N7O2S MolecularWeight: 367.38512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC(=O)NC3=NC(=CS3)C4=CNC(=C4)C(=O)N

InChI

InChI=1S/C16H13N7O2S/c17-15(25)11-5-9(6-18-11)12-8-26-16(19-12)20-14(24)7-23-13-4-2-1-3-10(13)21-22-23/h1-6,8,18H,7H2,(H2,17,25)(H,19,20,24)