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

Systemtic Name: 7-propan-2-yl-2-pyridin-4-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-isopropyl-2-(4-pyridyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-propan-2-yl-2-pyridin-4-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-propan-2-yl-2-pyridin-4-yl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-isopropyl-2-(4-pyridyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C20H18N4S MolecularWeight: 346.44872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=NC=C3)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC2=C(NN=C(N=C2C=C1)C3=CC=NC=C3)C4=CC=CS4

InChI

InChI=1S/C20H18N4S/c1-13(2)15-5-6-17-16(12-15)19(18-4-3-11-25-18)23-24-20(22-17)14-7-9-21-10-8-14/h3-13,23H,1-2H3