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

Systemtic Name: 8-chloranyl-2-pyridin-4-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-chloro-2-(4-pyridyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-chloro-2-pyridin-4-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-chloro-2-pyridin-4-yl-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-chloro-2-(4-pyridyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C17H11ClN4S MolecularWeight: 338.81404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC3=C(C=C(C=C3)Cl)NC(=N2)C4=CC=NC=C4

Isomeric SMILES

C1=CSC(=C1)C2=NC3=C(C=C(C=C3)Cl)NC(=N2)C4=CC=NC=C4

InChI

InChI=1S/C17H11ClN4S/c18-12-3-4-13-14(10-12)21-16(11-5-7-19-8-6-11)22-17(20-13)15-2-1-9-23-15/h1-10H,(H,20,21,22)