5-pyridin-3-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-pyridin-3-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3-pyridyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3-pyridinyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-pyridin-3-yl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3-pyridyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C17H12N4S MolecularWeight: 304.36898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CN=CC=C4

Isomeric SMILES

C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CN=CC=C4

InChI

InChI=1S/C17H12N4S/c1-2-7-14-13(6-1)16(12-5-3-9-18-11-12)20-21-17(19-14)15-8-4-10-22-15/h1-11,20H